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Computational Materials Science Lab

Texas A&M University College of Engineering

People

Anas Abu-Odeh

n/a

Currently an undergraduate Mechanical Engineering senior at Texas A&M. I am working on using a continuous constraint satisfaction algorithm (provided by Dr. Richard Malak’s group) to search high-entropy alloy space and feasible liquid metal dealloying systems. Previously, I collected data points of different austenitic steel compositions and their stacking fault energy (SFE) as well as collecting data points for the SFE of magnesium alloys.

 

ANAS graduated and started his graduate studies @ Berkeley. Congratulation Anas… [Summer 2017]

 

 

Luis Alberto

lacaceresdiaz@hotmail.com
Education:
BS:
Physical Engineering Universidad Tecnológica de     Pereira, Pereira Rda, Colombia
MS: C. M.Sc Specialty Materials Centro de Investigación y de Estudios Avanzados del Instituto Politéncico Nacional.Qro. México.

Interesting Areas: Thermodynamics of binary and ternary systems, Mössbauer Spectroscopy
luiscaceres@tamu.edu

Marshall Allen

marshallen16@tamu.edu

n/a

Marshall Allen is a Ph.D. student in the Department of Mechanical Engineering. He is co-advised by Dr. Richard Malak and Dr. Raymundo Arroyave. Marshall’s research focus is refining the use of robotic path planning algorithms for the design of Functionally Graded Materials (FGMs).

Ahnaf Akif Alvi

ahnafalvi@tamu.edu

n/a

Raymundo Arroyave

rarroyave@tamu.edu

979.845.5416

 

Current Curriculum Vitae

 

Research Interests

  • Primary field: Computational Materials Science
  • Methods: computational thermodynamics and kinetics of materials; integration of atomic-scale materials simulations and phenomenological thermodynamic and kinetic models; prediction of thermo-mechanical properties of materials through atomic-scale methods; development of phase field methods to describe the time evolution of microstructures; physics-based materials design; materials data infrastructure; materials informatics; ICME
  • Materials: lead-free alloys; high temperature materials (metals and ceramics); light metals; amorphous metals; bulk and thin film functional materials, nuclear materials, high strength structural alloys, Heusler alloys
  • Phenomena: thermodynamic stability of materials; interfacial and surface effects on thermodynamics of materials; kinetics of phase transformations; thin film thermodynamics;

Awards & Honors

  • 2014 FMD Journal of Electronic Materials Best Paper Award
  • 2014 TMS-EMPMD Distinguished Service Award
  • 2013-2018 Member, Level II. National System of Researchers, CONACyT, Mexico
  • 2012 TEES Select Young Faculty Fellow. TEES, Texas A&M University
  • 2010 NSF CAREER Award, CMMI

Education

  • Ph.D. Materials Science; Massachusetts Institute of Technology; Cambridge, MA, USA.
  • M.S. Materials Science and Engineering; Massachusetts Institute of Technology; Cambridge, MA, USA.
  • B.S. Mechanical and Electrical Engineering; Instituto Tecnológico y de Estudios Superiores de Monterrey; Monterrey, México.

Selected Publications

Park, M. S.; Gibbons, S. L..; Arr´oyave, R.. Confinement Effects on Evolution of Intermetallic Compounds during Metallurgical Joint Formation. Journal of Electronic Materials, (2014), 43, pp. 2510-2520

Junkaew, A.; Ham, B.; Zhang, X.; Arr´oyave, R. Tailoring the Formation of Metastable Mg through Interfacial Engineering: a Phase Stability Analysis. CALPHAD, (2014), 45, pp. 145-150.

Chari, A.; Dogan, E.; Talapatra, A.; Chivukula, A.; Garay, A.; Karaman, I.; Arr´oyave, R. Computational Thermodynamics of the CoNiGa High Temperature Shape Memory Alloy System. CALPHAD, (2014), 45, pp. 167-177.

Santamarta, R.; Arr´oyave, R.; Pons, J.; Evirgen, A.; Karaman, I.; Karaca, H. E.; Noebe, R. D. TEM Study of Structural and Microstructural Characteristics of a Precipitate Phase in Ni-rich Ni-Ti-Hf and Ni-Ti-Zr Shape Memory Alloys Acta Materialia (2013), 61(16), pp.6191-6206.

Li, S.; Zhu, R.; Karaman, I.; Arr´oyave, R. Development of a Kinetic Model to Predict the Volume Fraction of Retained Austenite after the Two-stage Heat Treatment in TRIP Steels. Acta Materialia (2013), 61(8), pp. 2884-2894.

Amir Behbahanian

amirbehbahanian@tamu.edu

n/a

Post-doctoral researcher
Arroyave Research Group, Texas A&M U.

Office: Doherty Bldg., A301
Phone:
E-Mail: Amirbehbahanian@tamu.edu

Amir is currently working as a Software Engineer specializing in machine learning model development, leveraged his extensive expertise in both machine learning and material science. During his tenure as a Postdoctoral Researcher at Texas A&M University spearheading a team of Ph.D. students, Amir applied his interdisciplinary knowledge to develop cutting-edge machine learning models, including the utilization of CatBoost to predict material properties. Furthermore, he delved into the realm of Neural Network development, specifically focusing on interatomic potentials, showcasing his versatility in tackling complex challenges at the intersection of materials science and artificial intelligence.

Richard Couperthwaite

richardcouperthwaite@tamu.edu

n/a

I started as a Ph.D. Student with Dr. Arroyave’s Group in Fall 2017, and have been working on the computational design of steel materials using thermodynamics and information-fusion techniques. Side projects have extended into the use of machine learning techniques for quantification of microstructures.

Before Starting my Ph.D. I worked in materials research and development at Mintek in South Africa. Some of my focus areas while working there was the development of more corrosion and oxidation resistant FeAl alloys, colored gold and platinum jewelry alloys and metal spray forming.

Thien Duong

terryduong84@tamu.edu

n/a

About me:

I’m currently a PhD candidate in Mechanical Engineering at Texas A&M University. I acquired my BS degree in Mechatronics at the University of Technology – Ho Chi Minh City, Vietnam in 2007. Later, I was pursuing M.S. in Control and System at Texas A&M University, a university of traditions and honors to me, starting in Fall 2008. During my MS career, I realized my passion for Materials Science, particularly Computational Materials Science and Engineering; I decided to change my major for PhD career at the same beloved school in Spring 2011. I find that this decision is a great turn in my life, in which I’m passionately enjoying my work, researches, studies and above all my life as a materials scientist.

Research:
Methodology: At the moment, I’m specializing in Ab initio study of electronic structures in materials. In specific, the first principle method I’m working on is Density Functional Theory (DFT) – A method to solve the Schodinger’s equation for electronic structures and properties that can be derived from it. I’m mostly interested in using DFT to study the thermodynamic properties of materials. From these calculated quantities, it can be explained why materials exist in a particular form. By combining with CALPHAD – A package to calculate phase diagrams, one can further understand more about the microstructure evolution of materials and their stable structure at a specific temperature and composition.
Materials of Interest: The materials I’m working on include: metallic fuels for Gen-IV reactors, MAX phases – high temperature advance alloys, high entropy alloys, shape memory alloys and thin film diffusion.
Achievements:
Summer 2012 – Intern at Lawrence Livermore National Laboratory.
Spring 2012 – Lab Assistant at IIMEC Winter School – Texas A&M University.
Summer 2011 – Scholarship Fellow at ICMEd Summer School – University of Michigan.

Supriyo Ghosh

Supriyo.ghosh@tamu.edu

n/a

Sean Gibbons

About me:  I am currently a PhD student in Materials Science and Engineering Program in the Mechanical Engineering Department here at Texas A&M University.
 

Interests: The application of computational methods to evaluate complex data sets for simulation initialization and to develop holistic materials science and engineering focused models; use atomistic scale information to tailor continuum level phase-field-models to timely and accurately simulate microstructural evolution for a given system, that can in-turn be used to drive experimental research and process and design cycles.

Education:
2009 • MS in Applied Mathematics
           Naval Postgraduate School, (Monterey, CA)
           Title of Thesis: Impacts of Sigma Coordinates on the Euler and Navier-Stokes Equations using Continuous
            Galerkin Methods
           Advisor: Francis X. Giraldo
2009 • MS in Numerical Weather Prediction
           Naval Postgraduate School, (Monterey, CA)
           Title of Thesis: Impacts of Sigma Coordinates on the Euler and Navier-Stokes Equations using Continuous                           Galerkin Methods
           Advisor: Tony Eckel
2003 • BS in Materials Sciences
           United States Air Force Academy, (Colorado Springs, CO)
1999 • USAF Academy Preparatory School
           United States Air Force Academy, (Colorado Springs, CO)
Current Research Areas:
Multi-scale Modeling:
    – Evolution of U-Zr Metallic Nuclear Fuels
Phase Field Modeling
    – Transient Liquid Phase Lead Free Soldering
    – Microelasticity
First Principle Calculations:
    – Ni-Ti-X based Shape Memory Alloys
Parallel Algorithm Design:
    – Mesh Adaptive Direct Search (MADS) Algorithms
    – Genetic Algorithms
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