# positions[].organizations[].parent[].label
Texas A&M Engineering Experiment Station (TEES)

# positions[].organizations[].label
Institute for Engineering Education and Innovation

# positions[].organizations[].parent[].label
Texas A&M Engineering Experiment Station (TEES)

# overview
Dr. Arroyave obtained his BS degrees in Mechanical and Electrical Engineering from the Instituto Tecnol?gico y de Estudios Superiores de Monterrey (M?xico) in 1996. He got his MS in Materials Science and Engineering in 2000 and his PhD in Materials Science in 2004 from MIT. After a postdoc at Penn State, he joined the Department of Mechanical Engineering at Texas A&M University in 2006. He is currently a Professor in the Department of Materials Science and Engineering and holds courtesy appointments in the Departments of Mechanical Engineering and Industrial and Systems Engineering

Dr. Arroyave's area of expertise is in the field of computational materials science, with emphasis in computational thermodynamics and kinetics of materials. He and his group use different techniques across multiple scales to predict and understand the behavior of inorganic materials (metallic alloys and ceramics). The techniques range from ab initio methods, classical molecular dynamics, computational thermodynamics as well as phase-field simulations. Dr. Arroyave's group recent focus has been on simulation and data-enabled materials discovery and design in a wide range of contexts, including Additive Manufacturing.

Dr. Arroyave has been co-author of more than 250 publications in peer-reviewed journals, 20 conference proceedings as well as close to 120 conference papers and >130 invited talks in the US and abroad. He is the recipient of several awards, including NSF CAREER Award (2010), TMS Early Career Faculty Fellow (2012, Honorable Mention), TMS Brimacombe Medal (2019), ASM Fellow (2020), Acta Materialia Silver Medal (2023). He has been named Texas A&M Presidential Impact Fellow (2017) and Texas A&M University System Chancellor EDGES Fellow (2019). He currently holds the Segers Family Dean's Excellence Professorship.

He is an Associate Editor of Materials Letters, Integrating Materials and Manufacturing Innovation (IMMI) and the Journal of Phase Equilibria and Diffusion. He is involved in ASM and TMS, having served as Chair of the ASM Alloy Phase Diagram Committee, Chair of the TMS Functional Materials Division as well as member of the Board of Directors of TMS. He has chaired or co-chaired more than 20 symposia and has been the lead organizer and co-organizer of several international conferences.

# keywords[]
Ab Initio Density Functional Theory Calculations

# keywords[]
4019 Resources Engineering And Extractive Metallurgy

# keywords[]
Phase Diagram, Prediction (including CALPHAD)

# keywords[]
Networking And Information Technology R&d

# keywords[]
3403 Macromolecular And Materials Chemistry

# keywords[]
Physics Informed Neural Networks (pinns)

# keywords[]
3403 Macromolecular And Materials Chemistry

# keywords[]
0306 Physical Chemistry (incl. Structural)

# keywords[]
4019 Resources Engineering And Extractive Metallurgy

# keywords[]
High Temperature Shape Memory Alloys (ht-smas)

# keywords[]
3407 Theoretical And Computational Chemistry

# keywords[]
3403 Macromolecular And Materials Chemistry

# keywords[]
3407 Theoretical And Computational Chemistry

# keywords[]
3403 Macromolecular And Materials Chemistry

# keywords[]
3403 Macromolecular And Materials Chemistry

# keywords[]
3407 Theoretical And Computational Chemistry

# keywords[]
4007 Control Engineering, Mechatronics And Robotics

# keywords[]
Rapid Prototyping And Solid Freeform Fabrication

# keywords[]
3403 Macromolecular And Materials Chemistry

# keywords[]
3403 Macromolecular And Materials Chemistry

# keywords[]
Laser Powder Bed Fusion Additive Manufacturing

# keywords[]
Refractory Multi -principal Element Alloys

# keywords[]
Markov Chain Monte Carlo-metropolis Hastings Algorithm

# keywords[]
Metropolis-hastings Markov Chain Monte Carlo

# keywords[]
Computer-aided Materials Design; Integrated Computational Materials Engineering; Multi-phase Materials; Information Fusion; Optimal Materials Design

# keywords[]
0306 Physical Chemistry (incl. Structural)

# keywords[]
Computational Materials Science And Engineering

# keywords[]
Magnetic Cluster Glasses And Strain Glasses

# keywords[]
Negative Coefficient Of Thermal Expansion

# keywords[]
0306 Physical Chemistry (incl. Structural)

# educationAndTraining[].organization.label
Massachusetts Institute of Technology - (Cambridge, Massachusetts, United States)

# educationAndTraining[].organization.label
Monterrey Institute of Technology and Higher Education - (Monterrey, Mexico)

# educationAndTraining[].organization.label
Massachusetts Institute of Technology - (Cambridge, Massachusetts, United States)

# awardsAndHonors[].label
Faculty Early Career Development (CAREER) Program

# awardsAndHonors[].label
William O. and Montine P. Head Faculty Fellow

# publications[].label
Kawin: An open source Kampmann-Wagner Numerical (KWN) phase precipitation and coarsening model

# publications[].label
Real-time observation of nanoscale manipulation of metal oxide phase transformations using in situ transmission electron microscopy

# publications[].label
Thermodynamic modeling of the Zr-O system

# publications[].label
Uncertainty quantification and propagation in CALPHAD modeling

# publications[].label
Efficient exploration of the High Entropy Alloy composition-phase space

# publications[].label
Numerical and experimental analysis of heat distribution in the laser powder bed fusion of Ti-6Al-4V

# publications[].label
On the microstructural origins of martensitic transformation arrest in a NiCoMnIn magnetic shape memory alloy

# publications[].label
Metal substrate effects on the thermochemistry of active brazing interfaces

# publications[].label
Thermodynamic assessment of the Cu-Ti-Zr system

# publications[].label
Microstructural refinement in an ultra-high strength martensitic steel via equal channel angular pressing

# publications[].label
Correction: Phase stability in nanoscale material systems: extension from bulk phase diagrams.

# publications[].label
Optimized uncertainty propagation across high fidelity taylor anvil simulation

# publications[].label
On the fast kinetics of B2-L2(1) ordering in Ni-Co-Mn-In metamagnetic shape memory alloys

# publications[].label
Physics-constrained Automatic Feature Engineering for Predictive Modeling in Materials Science

# publications[].publisher
Association for the Advancement of Artificial Intelligence (AAAI)

# publications[].label
Efficient machine-learning model for fast assessment of elastic properties of high-entropy alloys

# publications[].label
Thermodynamic Study of the Neptunium-Zirconium system

# publications[].label
Investigation of the structural stability of Co2NiGa shape memory alloys via ab initio methods

# publications[].label
Assessing Student Interdisciplinarity: Results from an Interdisciplinary Graduate Program in Science and Engineering Fields

# publications[].publisher
American Society for Engineering Education

# publications[].label
Ab initio thermodynamic properties of stoichiometric phases in the Ni-Al system

# publications[].label
Calculation of Electronic Structure and Field Induced Magnetic Collapse in Ferroic Materials

# publications[].label
An ultra-high strength martensitic steel fabricated using selective laser melting additive manufacturing: Densification, microstructure, and mechanical properties

# publications[].label
Hydrogen sorption in orthorhombic Mg hydride at ultra-low temperature

# publications[].label
Confinement Effects on Evolution of Intermetallic Compounds During Metallurgical Joint Formation

# publications[].label
Probing the entropy hypothesis in highly concentrated alloys

# publications[].label
Thermodynamic modelling of the Zn-Zr system

# publications[].label
The Inverse Phase Stability Problem as a Constraint Satisfaction Problem: Application to Materials Design

# publications[].label
Ferroic Glasses: Magnetic, Polar and Strain Glass

# publications[].label
Accelerated design of Fe-based soft magnetic materials using machine learning and stochastic optimization

# publications[].label
A lightweight Fe-Mn-Al-C austenitic steel with ultra-high strength and ductility fabricated via laser powder bed fusion

# publications[].label
First-principles investigation of the Al-Si-Sr ternary system: Ground state determination and mechanical properties

# publications[].label
Entropy-driven melting point depression in fcc HEAs

# publications[].label
A hierarchical computational thermodynamic and kinetic approach to discontinuous precipitation in the U-Nb system

# publications[].label
Uncertainty Quantification and Propagation in Computational Materials Science and Simulation-Assisted Materials Design

# publications[].label
First-Principles and Monte Carlo Studies of Magnetocaloric Effects

# publications[].label
Ab-initio calculations of the elastic and finite-temperature thermodynamic properties of niobium- and magnesium hydrides

# publications[].label
Computational Investigation of the Evolution of Intermetallic Compounds Affected by Microvoids During the Solid-State Aging Process in the Cu-Sn System

# publications[].label
Joining LaMo3 perovskite ceramics to nickel-based superalloys using liquid brazing/TLPB techniques

# publications[].label
A ductility metric for refractory-based multi-principal-element alloys

# publications[].label
Gas-Alloy Interactions at Elevated Temperatures

# publications[].label
Hybrid microstructure-defect printability map in laser powder bed fusion additive manufacturing

# publications[].label
Thermodynamic, Structural Properties and Transformation Behavior in CoNiGa Alloys from First Principles

# publications[].label
Large magnetocaloric effects in magnetic intermetallics: First-principles and Monte Carlo studies

# publications[].label
Effect of ternary additions to structural properties of NiTi alloys

# publications[].label
A Top-Down Characterization of NiTi Single-Crystal Inelastic Properties within Confidence Bounds through Bayesian Inference

# publications[].label
Study of the Isothermal Oxidation Process and Phase Transformations in B2-(Ni,Pt)Al/RENE-N5 System

# publications[].label
Controlled thermal coefficient product system and method

# publications[].label
High temperature oxidation behavior of disordered (Ti0.5Zr0.5)(2)AlC MAX phase via a Machine Learning-Augmented DFT approach

# publications[].label
Commentary: Recent Advances in Ab Initio Thermodynamics of Materials

# publications[].label
Navigating the design space of inorganic materials synthesis using statistical methods and machine learning.

# publications[].label
Open source software for materials and process modeling

# publications[].label
Additively Manufacturing Nitinol as a Solid-State Phase Change Material

# publications[].publisher
Institute of Electrical and Electronics Engineers (IEEE)

# publications[].label
4D PRINTING OF METALLIC FUNCTIONAL MATERIALS

# publications[].label
Thermodynamic properties of binary hcp solution phases from special quasirandom structures

# publications[].label
Uncertainty quantification and propagation across a multi-model computational framework for the tailored design of additively manufactured shape memory alloys

# publications[].label
Microstructure-Based Modeling of the Effect of Inclusion on the Bendability of Advanced High Strength Dual-Phase Steels

# publications[].label
Functionally Graded Materials through robotics-inspired path planning

# publications[].label
First-principles calculation of the instability leading to giant inverse magnetocaloric effects

# publications[].label
Deep learning-accelerated computational framework based on Physics Informed Neural Network for the solution of linear elasticity.

# publications[].label
Mass transport and thermal stability of TiN/Al2O3/InGaAs nanofilms

# publications[].label
Out-of-plane ordering in quaternary MAX alloys: an alloy theoretic perspective

# publications[].label
Matter of Opinion Machine learning for materials science: Barriers to broader adoption

# publications[].label
Efficient use of multiple information sources in material design

# publications[].label
Accelerated materials design using batch Bayesian optimization: A case study for solving the inverse problem from materials microstructure to process

# publications[].label
Laser-based additive manufacturing of a binary Ni-5 wt.%Nb alloy

# publications[].label
Thermodynamic modeling of the Ca-Sn system based on finite temperature quantities from first-principles and experiment

# publications[].label
Minimal effect of stacking number on intrinsic cleavage and shear behavior of Tin+1AlCn and Tan+1AlCn MAX phases

# publications[].label
Spatial Control of Functional Response in 4D-Printed Active Metallic Structures.

# publications[].label
Impact of particle arrays on phase separation composition patterns.

# publications[].label
Finite interface dissipation phase field modeling of Ni-Nb under additive manufacturing conditions

# publications[].label
Controlling martensitic transformation characteristics in defect-free NiTi shape memory alloys fabricated using laser powder bed fusion and a process optimization framework

# publications[].label
Assessing printability maps in additive manufacturing of metal alloys

# publications[].label
Exploration of the microstructure space in TiAlZrN ultra-hard nanostructured coatings

# publications[].label
The effect of electronic and magnetic valences on the martensitic transformation of CoNiGa shape memory alloys

# publications[].label
Interactive Exploration of High-Dimensional Phase Diagrams

# publications[].label
High-throughput combinatorial study of the effect of M site alloying on the solid solution behavior of M2AlC MAX phases

# publications[].label
Resonant ultrasound spectroscopy  a tool to probe magneto-elastic properties of ferromagnetic shape memory alloys

# publications[].label
An efficient framework for printability assessment in Laser Powder Bed Fusion metal additive manufacturing

# publications[].label
Multiphase Field Simulations of Intermetallic Compound Growth During Lead-Free Soldering

# publications[].label
Hierarchical evolution and thermal stability of microstructure with deformation twins in 316 stainless steel

# publications[].label
Investigation of the energetics of structural transformations in Co-based binary alloys

# publications[].label
On the importance of microstructure information in materials design: PSP vs PP

# publications[].label
Computational investigation of intermetallic compounds (Cu6Sn5 and Cu3Sn) growth during solid-state aging process

# publications[].label
An inverse design framework for prescribing precipitation heat treatments from a target microstructure

# publications[].label
Calculation of Electronic Structure and Field Induced Magnetic Collapse in Ferroic Materials

# publications[].label
The effect of chemical disorder on defect formation and migration in disordered max phases

# publications[].label
Ab initio investigation of Ti2Al(C,N) solid solutions

# publications[].label
A proof of concept: Thermodynamics of aluminum - transition metal highly concentrated alloys

# publications[].label
Thermodynamic modeling of the Hf-Si-O system

# publications[].label
Processing parameters and martensitic phase transformation relationships in near defect-free additively manufactured NiTiHf high temperature shape memory alloys

# publications[].label
On the stochastic phase stability of Ti2AlC-Cr2AlC.

# publications[].label
Ab initio study of the electronic, mechanical, and vibrational properties of different Al2Si2Sr crystalline phases

# publications[].label
Autonomous efficient experiment design for materials discovery with Bayesian model averaging

# publications[].label
Diffusion of In and Ga in TiN/HfO2/InGaAs nanofilms

# publications[].label
Multivariate Calibration and Experimental Validation of a 3D Finite Element Thermal Model for Laser Powder Bed Fusion Metal Additive Manufacturing

# publications[].label
Effect of Microtextured Region Stereology on Crack Growth Lifetime Predictions in Ti-6Al-4V

# publications[].label
Thermodynamic properties of binary hcp solution phases from special quasirandom structures (vol 74, art no 024204, 2006)

# publications[].label
Systems Approaches to Materials Design: Past, Present, and Future

# publications[].label
Finite-temperature elasticity of fcc Al: Atomistic simulations and ultrasonic measurements

# publications[].label
A First-Principles Investigation of the Compositional Dependent Properties of Magnetic Shape Memory Heusler Alloys

# publications[].label
On the complexity of solid-state diffusion in highly concentrated alloys and the sluggish diffusion core-effect

# publications[].label
A comparative study of Kim-Kim-Suzuki (KKS), Partition Coefficient Relaxation (PCR), and Finite Interface Dissipation (FID) phase field models for rapid solidification

# publications[].label
CALPHAD/first-principles hybrid approach: The study of phase equilibria and solidification behavior of the Al-Ni-Y system

# publications[].label
Fabrication and characterization of aluminum - magnetic shape memory alloy composites

# publications[].label
Nucleation and growth of SiC at the interface between molten Si and graphite

# publications[].label
Systems and methods for tailoring coefficients of thermal expansion between extreme positive and extreme negative values

# publications[].label
Bayesian Calibration and Uncertainty Quantification for a Physics-Based Precipitation Model of Nickel-Titanium Shape-Memory Alloys

# publications[].label
Experiment Design Frameworks for Accelerated Discovery of Targeted Materials Across Scales

# publications[].label
Formation and Growth of Intermetallic Compound Cu6Sn5 at Early Stages in Lead-Free Soldering

# publications[].label
Phase-field simulations of intermetallic compound growth in Cu/Sn/Cu sandwich structure under transient liquid phase bonding conditions

# publications[].label
A data-driven machine learning approach to predicting stacking faulting energy in austenitic steels

# publications[].label
Application of a Chained-ANN for Learning the Process-Structure Mapping in Mg2SixSn1-x Spinodal Decomposition

# publications[].label
Lattice vibrations boost demagnetization entropy in a shape-memory alloy

# publications[].label
Thermodynamic and mechanical stabilities of alpha- and beta-Ta4AlC3 via first-principles investigations

# publications[].label
Atomic Hourglass and Thermometer Based on Diffusion of a Mobile Dopant in VO2.

# publications[].label
Fabrication and characterization of aluminum-magnetic shape memory alloy composites

# publications[].label
Effect of Pd alloying on structural, electronic and magnetic properties of L10Fe-Ni.

# publications[].label
TEM study of structural and micro structural characteristics of a precipitate phase in Ni-rich Ni-Ti-Hf and Ni-Ti-Zr shape memory alloys

# publications[].label
A Sensory Material Approach for Reducing Variability in Additively Manufactured Metal Parts.

# publications[].label
B2 phases and their defect structures: Part II. Ab initio vibrational and electronic free energy in the Al-Ni-Pt-Ru system

# publications[].label
Thermodynamic analysis of two-stage heat treatment in TRIP steels

# publications[].label
Nucleation-controlled hysteresis in unstrained hydrothermal VO2 particles

# publications[].label
Incorporating dynamic recrystallization into a crystal plasticity model for high-temperature deformation of Ti-6Al-4V

# publications[].label
Effect of heat treatments on the microstructure and mechanical properties of an ultra-high strength martensitic steel fabricated via laser powder bed fusion additive manufacturing

# publications[].label
Phase Stability Through Machine Learning

# publications[].label
A perspective on Bayesian methods applied to materials discovery and design

# publications[].label
Thermodynamic modeling of the Si-Sr system

# publications[].label
Finite-temperature thermodynamic properties of intermetallics in the Mg-Ca-Sn system via first-principles methods

# publications[].label
A Constraint Satisfaction Algorithm for the Generalized Inverse Phase Stability Problem

# publications[].label
Towards stacking fault energy engineering in FCC high entropy alloys

# publications[].label
On the Fabrication of Defect-Free Nickel-Rich Nickel-Titanium Parts Using Laser Powder Bed Fusion

# publications[].label
Joining LaMO3 Perovskite Ceramics to Nickel-based Super Alloys using Brazing/TLPB Techniques

# publications[].label
Modeling Across Scales: A Roadmapping Study for Connecting Materials Models and Simulations Across Length and Time Scales

# publications[].publisher
The Minerals, Metals & Materials Society

# publications[].label
Multivariate Calibration and Experimental Validation of a 3D Finite Element Thermal Model for Laser Powder Bed Fusion Metal Additive Manufacturing

# publications[].label
A rigorous test and improvement of the Eagar-Tsai model for melt pool characteristics in laser powder bed fusion additive manufacturing

# publications[].tags
9 Industry, Innovation and Infrastructure

# publications[].label
Stabilization of bcc Mg in Thin Films at Ambient Pressure: Experimental Evidence and ab initio Calculations

# publications[].label
Multiscale Modeling of Discontinuous Precipitation in U-Nb

# publications[].label
Concurrent nucleation, formation and growth of two intermetallic compounds (Cu6Sn5 and Cu3Sn) during the early stages of lead-free soldering

# publications[].label
Pseudoelastic Deformation in Refractory (MoW) 85Zr 7.5(TaTi) 7.5 High-Entropy Alloy

# publications[].label
Defect structures and ternary lattice site preference of the B2 phase in the Al-Ni-Ru system

# publications[].label
Effect of A mixing on elastic modulus, cleavage stress, and shear stress in the Ti-3(SixAl1-x)C-2 MAX phase

# publications[].label
Finite-temperature thermodynamic and vibrational properties of Al-Ni-Y compounds via first-principles calculations

# publications[].label
Investigation of the discontinuous precipitation of U-Nb alloys via thermodynamic analysis and phase-field modeling

# publications[].label
Batch active learning for accelerating the development of interatomic potentials

# publications[].label
A theoretical investigation of the effect of Ga alloying on thermodynamic stability, electronic-structure, and oxidation resistance of Ti2AlC MAX phase.

# publications[].label
Structural and transport properties of epitaxial NaxCoO2 thin films

# publications[].label
EFFECTS OF STUDENT-LED UNDERGRADUATE RESEARCH EXPERIENCE ON LEARNING AND ATTITUDES TOWARD ENGINEERING IN AN INTRODUCTORYMATERIALS SCIENCE COURSE

# publications[].label
Bayesian optimization with adaptive surrogate models for automated experimental design

# publications[].label
Fabrication of porous and pillar-shaped Mg by magnetron sputtering

# publications[].label
Effects of composition and crystallographic ordering on the ferromagnetic transition in Ni-Co-Mn-In magnetic shape memory alloys

# publications[].label
Processing of novel pseudomorphic Cu-Mo hierarchies in thin films

# publications[].label
Erosion and corrosion mechanisms in pneumatic conveying of direct reduced iron pellets

# publications[].label
A printability assessment framework for fabricating low variability nickel-niobium parts using laser powder bed fusion additive manufacturing

# publications[].label
Thermodynamics and Kinetics of High-Entropy Alloys

# publications[].label
Utilizing Gaussian processes to fit high dimension thermodynamic data that includes estimated variability

# publications[].label
Predicting Van der Waals Heterostructures by a Combined Machine Learning and Density Functional Theory Approach.

# publications[].label
Computational thermodynamics of the CoNiGa high temperature shape memory alloy system

# publications[].label
On the limitations of the DFT plus U approach to energetics of actinides

# publications[].label
Adaptive active subspace-based efficient multifidelity materials design

# publications[].label
Erosion and corrosion mechanisms in pneumatic conveying of direct reduced iron pellets

# publications[].label
Influence of layer thickness on the printability of nickel alloy 718: A systematic process optimization framework

# publications[].label
Ab-initio investigation of the finite-temperatures structural, elastic, and thermodynamic properties of Ti3AlC2 and Ti3SiC2

# publications[].label
Multi-objective materials bayesian optimization with active learning of design constraints: Design of ductile refractory multi-principal-element alloys

# publications[].label
Spin excitations in Co2NiGa under pressure from a theoretical approach

# publications[].label
Review: additive manufacturing of pure tungsten and tungsten-based alloys

# publications[].label
Metric-driven search for structurally stable inorganic compounds

# publications[].label
Revisiting thermodynamics and kinetic diffusivities of uranium-niobium with Bayesian uncertainty analysis

# publications[].label
Competing Interactions between Mesoscale Length-Scales, Order-Disorder, and Martensitic Transformation in Ferromagnetic Shape Memory Alloys

# publications[].label
Phase Field Modeling of Joint Formation During Isothermal Solidification in 3DIC Micro Packaging

# publications[].label
Multi-phase microstructure design of a low-alloy TRIP-assisted steel through a combined computational and experimental methodology

# publications[].label
Phase constitution effect on the ductility of low alloy multiphase transformation induced plasticity steels

# publications[].label
Efficiently exploiting process-structure-property relationships in material design by multi-information source fusion

# publications[].label
Pseudoelastic deformation in Mo-based refractory multi-principal element alloys

# publications[].label
Early stages of intermetallic compound formation and growth during lead-free soldering

# publications[].publisher
American Society for Engineering Education

# publications[].label
Influence of deposition temperature on the properties of sputtered films grown from a Cu2O-CdO-TeO2 composite target: Electronic properties of CdTe2O5

# publications[].label
Uncertainty quantification of the parameters and predictions of a phenomenological constitutive model for thermally induced phase transformation in Ni-Ti shape memory alloys

# publications[].label
Phase transformations in equiatomic CuZr shape memory thin films analyzed by differential nanocalorimetry

# publications[].label
On the effect of scan strategies on the transformation behavior and mechanical properties of additively manufactured NiTi shape memory alloys

# publications[].label
Statistical modelling of microsegregation in laser powder-bed fusion

# publications[].label
Describing the deformation behaviour of TRIP and dual phase steels employing an irreversible thermodynamics formulation

# publications[].label
Thermodynamic modelling of the Ag-Cu-Ti ternary system

# publications[].label
Effect of composition and phase diagram features on printability and microstructure in laser powder bed fusion: Development and comparison of processing maps across alloy systems

# publications[].label
On the interfacial phase growth and vacancy evolution during accelerated electromigration in Cu/Sn/Cu microjoints

# publications[].label
Exploration of the High Entropy Alloy Space as a Constraint Satisfaction   Problem

# publications[].label
Magnetocaloric effects in Ni-Mn-Ga-Fe alloys using Monte Carlo simulations

# publications[].label
Modulating the Hysteresis of an Electronic Transition: Launching Alternative Transformation Pathways in the Metal-Insulator Transition of Vanadium(IV) Oxide

# publications[].label
The U-Ti system: Strengths and weaknesses of the CALPHAD method

# publications[].label
Ab initio lattice stability in comparison with CALPHAD lattice stability

# publications[].label
ALLOY DESIGN STRATEGIES THROUGH COMPUTATIONAL THERMODYNAMICS AND KINETICS APPROACHES

# publications[].label
Computational Thermodynamics and Kinetics-Based ICME Framework for High-Temperature Shape Memory Alloys

# publications[].label
Phase equilibria, thermodynamics and solidification microstructures of Mg-Sn-Ca alloys, Part 1: Experimental investigation and thermodynamic modeling of the ternary Mg-Sn-Ca system

# publications[].label
Properties and Decomposition of Heusler Alloys

# publications[].label
Bayesian probabilistic prediction of precipitation behavior in Ni-Ti shape memory alloys

# publications[].label
Metal cluster-deposited graphene as an adsorptive material for m-xylene

# publications[].label
Parameter range estimation and uncertainty analysis for high strain rate material response via model fusion

# publications[].label
B2 phases and their defect structures: Part I. Ab initio enthalpy of formation and enthalpy of mixing in the Al-Ni-Pt-Ru system

# publications[].label
Glassy Phonon Heralds a Strain Glass State in a Shape Memory Alloy.

# publications[].label
High throughput exploration of the oxidation landscape in high entropy alloys.

# publications[].label
A differential evaporation model to predict chemistry change of additively manufactured metals

# publications[].label
Thermodynamic study of the Ge-Mn-Si system

# publications[].label
Computational Design of Compositionally Graded Alloys for Property Monotonicity

# publications[].label
Modification of the thermodynamic model for the Mg-Zr system

# publications[].label
Does aluminum play well with others? Intrinsic Al-A alloying behavior in 211/312 MAX phases

# publications[].label
Thermodynamic Assessment of the Ag-Cu-Ti System

# publications[].label
Nanocalorimetry and ab initio study of ternary elements in CuZr-based shape memory alloy

# publications[].label
Development of a kinetic model for bainitic isothermal transformation in transformation-induced plasticity steels

# publications[].label
Pseudoelastic Deformation in Refractory (MoW) 85 Zr 7.5(TaTi) 7.5 High-Entropy Alloy

# publications[].label
Structural, physical and mechanical properties of Ti-3(Al1-xSix)C-2 solid solution with x=0-1

# publications[].label
Prediction of the glass forming ability in Cu-Zr binary and Cu-Zr-Ti ternary alloys

# publications[].label
Multi-Information Source Fusion and Optimization to Realize ICME: Application to Dual Phase Materials

# publications[].label
CONSTRAINT SATISFACTION APPROACH TO THE DESIGN OF MULTI-COMPONENT, MULTI-PHASE ALLOYS

# publications[].label
A process optimization framework for laser direct energy deposition: Densification, microstructure, and mechanical properties of an Fe-Cr alloy

# publications[].label
Stability analysis of the martensitic phase transformation in Co2NiGa Heusler alloy

# publications[].label
Incorporating Research Experiences into an Introductory Materials Science Course

# publications[].label
Thermodynamics, lattice stability and defect structure of strontium silicides via first-principles calculations

# publications[].label
Looking Outwards from the "Central Science": An Interdisciplinary Perspective on Graduate Education in Materials Chemistry

# publications[].label
High-throughput reaction engineering to assess the oxidation stability of MAX phases

# publications[].label
First-principles calculations of finite-temperature elastic properties of Ti2AlX (X = C or N)

# publications[].label
Prediction of processing maps for transient liquid phase diffusion bonding of Cu/Sn/Cu joints in microelectronics packaging

# publications[].label
Postsynthetic Route for Modifying the Metal-Insulator Transition of VO2 by Interstitial Dopant Incorporation

# publications[].label
Size and stress dependent hydrogen desorption in metastable Mg hydride films

# publications[].label
Phase stability in nanoscale material systems: extension from bulk phase diagrams.

# publications[].label
On the Effect of Nucleation Undercooling on Phase Transformation Kinetics

# publications[].label
First-principles calculations of the Zn-Zr system

# publications[].label
Data-driven shape memory alloy discovery using Artificial Intelligence Materials Selection (AIMS) framework

# publications[].label
Phase-Field Study of Thermomigration in 3-D IC Micro Interconnects

# publications[].publisher
Institute of Electrical and Electronics Engineers (IEEE)

# publications[].label
Mapping mechanisms and growth regimes of magnesium electrodeposition at high current densities

# publications[].label
Bayesian Calibration of Multiple Coupled Simulation Models for Metal Additive Manufacturing: A Bayesian Network Approach

# publications[].label
Design of alumina-forming austenitic stainless steel using genetic algorithms

# publications[].label
Thermoelectric properties of epitaxial and topotaxial NaxCoO2 thin films

# publications[].label
Intellectual Community as a Bridge of Interdisciplinary Graduate Education in Materials Data Science

# publications[].label
Phase-field simulations of intermetallic compound evolution in Cu/Sn solder joints under electromigration

# publications[].label
A Subspace-Inclusive Sampling Method for the Computational Design of Compositionally Graded Alloys

# publications[].label
Investigation of interfaces in Mg/Nb multilayer thin films

# publications[].label
An Interpretable Boosting-Based Predictive Model for Transformation Temperatures of Shape Memory Alloys

# publications[].label
Uncertainty propagation in a multiscale CALPHAD-reinforced elastochemical phase-field model

# publications[].label
Microstructure classification in the unsupervised context

# publications[].label
First-Principles Characterization of Equilibrium Vacancy Concentration in Metamagnetic Shape Memory Alloys: An Example of Ni2MnGa

# publications[].label
Thermodynamic modeling of the binary barium-oxygen system

# publications[].label
Machine-learning enabled thermodynamic model for the design of new rare-earth compounds

# publications[].label
Materials Design Through Batch Bayesian Optimization with Multisource Information Fusion

# publications[].label
Semi-supervised learning approaches to class assignment in ambiguous microstructures

# publications[].label
Strain-induced suppression of the miscibility gap in nanostructured Mg2Si-Mg2Sn solid solutions

# publications[].label
Bayesian uncertainty quantification and information fusion in CALPHAD-based thermodynamic modeling

# publications[].label
Tailoring the formation of metastable Mg through interfacial engineering: A phase stability analysis

# publications[].label
Experimental and computational study of the morphological evolution of intermetallic compound (Cu6Sn5) layers at the Cu/Sn interface under isothermal soldering conditions

# publications[].label
Effect of configurational order on the magnetic characteristics of Co-Ni-Ga ferromagnetic shape memory alloys

# publications[].label
Thermodynamic remodeling of the Co-Ga system

# publications[].label
Laser Powder Bed Fusion of Defect-Free NiTi Shape Memory Alloy Parts with Superior Tensile Superelasticity

# publications[].label
Machine Learning-Directed Navigation of Synthetic Design Space: A Statistical Learning Approach to Controlling the Synthesis of Perovskite Halide Nanoplatelets in the Quantum-Confined Regime

# publications[].label
The complete reaction mechanism of H2S desulfurization on an anatase TiO2 (001) surface: a density functional theory investigation

# publications[].label
Phase stability in alpha- and beta-rhombohedral boron

# publications[].label
Enhancement of the selectivity of MXenes (M2C, M = Ti, V, Nb, Mo) via oxygen-functionalization: promising materials for gas-sensing and -separation.

# publications[].label
Early stage growth characteristics of Ag3Sn intermetallic compounds during solid-solid and solid-liquid reactions in the Ag-Sn interlayer system: Experiments and simulations

# publications[].label
Probing Structural and Magnetic Instabilities and Hysteresis in Heuslers by Density Functional Theory Calculations

# publications[].label
Multi-objective Bayesian materials discovery: Application on the discovery of precipitation strengthened NiTi shape memory alloys through micromechanical modeling

# publications[].label
Complex magnetic ordering as a driving mechanism of multifunctional properties of Heusler alloys from first principles

# publications[].label
A first-principles approach to transition states of diffusion.

# publications[].label
Ab-initio aprroach to the electronic, structural, elastic, and finite-temperature thermodynamic properties of Ti(2)AX (A = Al or Ga and X = C or N)

# publications[].label
Real-time atomistic observation of structural phase transformations in individual hafnia nanorods.

# editorOf[].label
Proceedings of the TMS Middle East  Mediterranean Materials Congress on Energy and Infrastructure Systems (MEMA 2015)

# researcherOn[].label
DMREF: Collaborative Research:  Accelerated Development of Damage Tolerant and Oxidation Resistant Alumina-Forming MAX Phases

# researcherOn[].awardedBy.label
National Science Foundation - (Arlington, Virginia, United States)

# researcherOn[].label
NRT-DESE: Data-Enabled Discovery and Design of Energy Materials

# researcherOn[].awardedBy.label
National Science Foundation - (Arlington, Virginia, United States)

# researcherOn[].label
EAGER: Simultaneously Controlling Multi-Scale Material Structures Based on Fluid Layering With Self-Assembly and Eutectic Growth

# researcherOn[].awardedBy.label
National Science Foundation - (Arlington, Virginia, United States)

# researcherOn[].label
DMREF: Accelerating the Development of High Temperature Shape Memory Alloys

# researcherOn[].awardedBy.label
National Science Foundation - (Arlington, Virginia, United States)

# researcherOn[].label
I-Corps: Tailored Thermal Expansion Alloys

# researcherOn[].awardedBy.label
National Science Foundation - (Arlington, Virginia, United States)

# researcherOn[].label
TAOI B: Synergistic Computational and Microstructural Design of Next-Generation High-Temperature Austenitic Stainless Steels

# researcherOn[].awardedBy.label
United States Department of Energy - (Washington D.C., District of Columbia, United States)

# researcherOn[].label
Hysteresis Engineering of Adaptave Materials for Electronic and Optoelectronic Devices

# researcherOn[].awardedBy.label
United States Army - (Washington D.C., District of Columbia, United States)

# researcherOn[].awardedBy.preferredLabel
Missile Defense Agency/Deputy for Contracting

# researcherOn[].label
Production of Novel Low Density High Entropy Alloys: Experimental and Theoretical Approaches

# researcherOn[].label
MRI: Acquisition of FASTER - Fostering Accelerated Sciences Transformation Education and Research

# researcherOn[].awardedBy.label
Directorate for Computer & Information Science & Engineering - (Arlington, Virginia, United States)

# researcherOn[].label
Materials and Manufacturing Processes for the Army of the Future

# researcherOn[].awardedBy.label
United States Army - (Washington D.C., District of Columbia, United States)

# researcherOn[].label
International Institute on Multifunctional Materials for Energy Conversion (IIMEC)

# researcherOn[].awardedBy.label
National Science Foundation - (Arlington, Virginia, United States)

# researcherOn[].label
Workshop: Interdisciplinary Frontiers of Designing Engineering Material Systems; College Station, TX; 18-19 July 2016

# researcherOn[].awardedBy.label
National Science Foundation - (Arlington, Virginia, United States)

# researcherOn[].label
Control of Variability in the Performance of Selective Laser Melting (SLM) Parts through Microstructure Control and Design

# researcherOn[].awardedBy.label
National Aeronautics and Space Administration - (Washington D.C., District of Columbia, United States)

# researcherOn[].label
Planning Grant: Engineering Research Center for Advanced Materials Manufacturing and Discovery for Extreme Environments (CAM2DE2)

# researcherOn[].awardedBy.label
National Science Foundation - (Arlington, Virginia, United States)

# researcherOn[].label
CAREER: Ab Initio Calculations for Design of High Temperature Materials

# researcherOn[].awardedBy.label
National Science Foundation - (Arlington, Virginia, United States)

# researcherOn[].label
Multi-Information Source Value of Information Based Design of Multi-Phase Structural Materials

# researcherOn[].awardedBy.label
National Science Foundation - (Arlington, Virginia, United States)

# researcherOn[].label
CCLI: Scaling Up Undergraduate Research Experience Through Student-Led Class-Wide Projects in an Introductory Materials Science Course

# researcherOn[].awardedBy.label
National Science Foundation - (Arlington, Virginia, United States)

# researcherOn[].label
Multi-Material Bulk Deposition and Characterization System for Accelerated Materials Discovery and Design

# researcherOn[].awardedBy.label
United States Air Force - (Arlington, Virginia, United States)

# researcherOn[].awardedBy.preferredLabel
DOD-Air Force-Office of Scientific Research

# researcherOn[].label
Collaborative Research: Computational Study of Low Volume Solder Interconnects for 3D Integrated Circuit Packaging

# researcherOn[].awardedBy.label
National Science Foundation - (Arlington, Virginia, United States)

# researcherOn[].label
Linking Fundamental Structural and Physical Properties of the MAX Phases at Finite Temperatures through Synergetic Experimental and Computational Research

# researcherOn[].awardedBy.label
National Science Foundation - (Arlington, Virginia, United States)

# researcherOn[].label
Glassy Ferromagnetic Shape Memory Alloys: Interplay Between Disorder, Phase Transitions, and Multi-Physics Couplings

# researcherOn[].awardedBy.label
National Science Foundation - (Arlington, Virginia, United States)

# researcherOn[].label
Probing Microstructure-Martensitic Transformation Couplings in Metamagnetic Shape Memory Alloys

# researcherOn[].awardedBy.label
National Science Foundation - (Arlington, Virginia, United States)

# researcherOn[].label
Elements: Software: Autonomous, Robust, and Optimal In-Silico Experimental Design Platform for Accelerating Innovations in Materials Discovery

# researcherOn[].awardedBy.label
National Science Foundation - (Arlington, Virginia, United States)

# researcherOn[].label
S&AS: INT: Autonomous Experimentation Platform for Accelerating Manufacturing of Advanced Materials

# researcherOn[].awardedBy.label
National Science Foundation - (Arlington, Virginia, United States)

# researcherOn[].label
Manufacturing Process Science: The Science of Processing/Alloying Windows in Metals Additive Manufacturing

# researcherOn[].awardedBy.label
United States Army - (Washington D.C., District of Columbia, United States)

# researcherOn[].label
Cyber Training :  CIC: The Texas A&M University Computational Materials Science Summer School (CMS3)

# researcherOn[].awardedBy.label
National Science Foundation - (Arlington, Virginia, United States)

# streetAddress
Texas A&M University; Materials Science & Engineering; 3003 TAMU

# organizations[]
Institute for Engineering Education and Innovation

# schools[]
Texas A&M Engineering Experiment Station (TEES)

# inTheNews[].label
Texas A&M team develops guidelines for 3D printing of martensitic steel

# inTheNews[].label
NSF Grant Supports Texas A&M's Acquisition Of High Performance Computing Platform

# inTheNews[].label
Engineering research program moves online

# etdChairOf[].label
Son, Woongrak (2018-07). First Principles Investigation of Structural, Mechanical and Thermodynamic Properties of MAX Phases. Doctoral Dissertation.

# etdChairOf[].label
Kunselman, Courtney Jo (2020-02). Semi-supervised Learning Approaches to Class Assignment in Ambiguous Microstructures. Master's Thesis.

# etdChairOf[].label
Villarreal, Ruben (2020-04). Navigating the Energy Landscape of Martensitic Transformations. Doctoral Dissertation.

# etdChairOf[].label
Johnson, Luke Aaron (2019-02). Computational Frameworks for Materials Design and Additive Manufacturing. Doctoral Dissertation.

# etdChairOf[].label
Junkaew, Anchalee (2013-11). Mg-Based Nano-layered Thin Films for Hydrogen Storage. Doctoral Dissertation.

# etdChairOf[].label
Karayagiz, Kubra (2019-07). Multi-Scale Multi-Physics Modeling of Laser Powder Bed Fusion Additive Manufacturing. Doctoral Dissertation.

# etdChairOf[].label
Williams, Michael Eric (2009-05). Ab-initio elastic and thermodynamic properties of high-temperature cubic intermetallics at finite temperatures. Master's Thesis.

# etdChairOf[].label
Johnson, Luke A (2015-11). A Computational Framework for the Prediction of Multistage Heat Treatments in Age Hardened Alloys. Master's Thesis.

# etdChairOf[].label
Honarmandi, Pejman (2019-08). Materials Design Under Bayesian Uncertainty Quantification. Doctoral Dissertation.

# etdChairOf[].label
Li, Sheng-Yen (2013-08). A Computational-based Approach for the Design of Trip Steels. Doctoral Dissertation.

# etdChairOf[].label
Gibbons, Sean Lee (2016-03). Austenite-Grain Refinement and Epsilon-Carbide Precipitation Optimization in Ultra High Strength Steel Alloy ES-1. Doctoral Dissertation.

# etdChairOf[].label
Chaudhary, Nayan (2016-08). A Data Driven Machine Learning Approach to Prediction of Stacking Fault Energy in Austenitic Steels. Master's Thesis.

# etdChairOf[].label
Chari, Arpita (2012-10). Computational Thermodynamics of CoNiGa High Temperature Shape Memory Alloys. Master's Thesis.

# etdChairOf[].label
Thawabi, Hassan S (2013-04). Ab-initio First Principle Modeling of Structural and Magnetic Phase Transformations in Co-Ni-Al Based Shape Memory Alloys. Master's Thesis.

# etdChairOf[].label
Wang, Chung (2014-12). Study of Alumina in Austenitic Stainless Steels. Master's Thesis.

# etdChairOf[].label
Hsu, Chung-Hao (2013-03). Manipulation of Thermal Phonons. Doctoral Dissertation.

# etdChairOf[].label
Honarmandi, Pejman (2019-08). Materials Design Under Bayesian Uncertainty Quantification. Doctoral Dissertation.

# etdChairOf[].label
Talapatra, Anjana (2015-11). An Ab Initio Investigation of Thermoelastic Phase Transformations in Transition Metal Alloys. Doctoral Dissertation.

# etdChairOf[].label
Park, Min Soo (2011-02). Phase-field Models for Solidification and Solid/Liquid Interactions. Doctoral Dissertation.

# etdChairOf[].label
Bajaj, Saurabh (2012-02). Phase Stability and Thermodynamic Assessment of the Np-Zr system. Master's Thesis.

# etdChairOf[].label
Duong, Thien Chi (2015-12). Integrated Computational Materials Science and Engineering for The Research and Development of Gen-IV Metallic Fuels: Application to Uranium-Niobium. Doctoral Dissertation.