MSMSE期刊公布2021年“青年领军人”获奖名单

• Mathew Cherukara leads the Computational X-ray Science (CXS) group at the Advanced Photon Source (APS) at Argonne National Laboratory. The group develops algorithms, computational tools and AI/ML models to analyze and interpret data from the various x-ray characterization techniques performed at the APS. His personal research is in AI-enabled materials characterization and AI-accelerated materials modeling. He has particular interest in the development of novel x-ray and electron imaging capabilities that are only made possible because of AI. Mathew received his Ph.D from Purdue University in 2015 and his bachelors from the Indian Institute of Technology (IIT) Madras in 2010, both in computational materials science. He has 4 patent applications and has published over 50 peer-reviewed papers.

Deep learning the properties of inorganic perovskites

Mathew J Cherukara and Arun Mannodi-Kanakkithodi 2022 Modelling Simul. Mater. Sci. Eng. 30 034005

Arun Mannodi Kanakkithodi

• Arun Mannodi Kanakkithodi is an assistant professor in Materials Engineering at Purdue university. He received his PhD in Materials Science and Engineering from the University of Connecticut in 2017, and worked as a postdoctoral researcher at the Center for Nanoscale Materials in Argonne National Laboratory from 2017 to 2020. His research involves using first principles computational modeling, machine learning, and materials informatics to drive the design of new materials for energy-relevant applications. The primary methods used in his research group are quantum mechanics-based density functional theory (DFT) and regression/optimization techniques based on neural networks, Gaussian processes, and random forests.

A first principles investigation of ternary and quaternary II–VI zincblende semiconductor alloys

Arun Mannodi-Kanakkithodi 2022 Modelling Simul. Mater. Sci. Eng. 30 044001

Manas V Upadhyay

• Manas V Upadhyay is an Assistant Professor in the Department of Mechanics of the Ecole Polytechnique (France). He holds a researcher position in the Solid Mechanics Laboratory (LMS) of the Ecole Polytechnique and the CNRS, where he is currently leading the research activities of the MoSES (Modeling Simulation and Experimental Synergy) group. He obtained his PhD in Mechanical Engineering in 2014 from the Georgia Institute of Technology (USA) under the supervision of Dr Laurent Capolungo. He did his post-doctoral research under the supervision of Dr Helena Van Swygenhoven at the Paul Scherrer Institute (Switzerland). His general research interest is to engineer microstructures in order to obtain desired material properties and response using an experiment-modeling-simulation-based synergistic approach. His current research focus is on tailoring microstructures fabricated via metal additive manufacturing. He is a recipient of the European Research Council’s (ERC) Starting Grant 2020. For more details on his professional activities, please visit www.manas-upadhyay.com

Dislocation transport using a time-explicit Runge–Kutta discontinuous Galerkin finite element approach

Manas Vijay Upadhyay and Jérémy Bleyer 2022 Modelling Simul. Mater. Sci. Eng. 30 034002

• Junkai Deng received his PhD from Xi’an Jiaotong University of China in 2011. During the PhD degree, he finished the joint-PhD program for two years at the group of Prof. Xiaobing Ren in National Institute for Materials Science of Japan. After the PhD degree, he was a postdoc at Monash University of Australia with Dr. Zhe Liu and Medhekar Nikhil. From 2013, he returned to Xi’an Jiaotong University and is currently a full professor. His research interests are focused on low-dimensional materials, ferroic smart materials, and advanced energy materials studied by modern computational tools.

Design of Menger sponge fractal structural NiTi as bone implants

Xudong Zhang et al 2021 Modelling Simul. Mater. Sci. Eng. 29 084001

• Matthew (Matt) Kroonblawd is a staff scientist at Lawrence Livermore National Laboratory, where he started as a postdoc under Nir Goldman following a PhD in Chemistry from the University of Missouri under Tommy Sewell. He is focused on developing computational approaches to understand interconnections between the mechanical, thermal, and chemical responses of molecular materials under nonequilibrium conditions. His work is rooted in molecular dynamics modeling and forages physically motivated connections to mesoscale and continuum theory. His primary research interests include mechanochemistry, shock physics, transport, material aging, and mathematical methods as applied to explosives, organic small molecules, polymers, and surfaces.

Anisotropic strength behavior of single-crystal TATB

Matthew P Kroonblawd et al 2022 Modelling Simul. Mater. Sci. Eng. 30 014004

Francesco Maresca

• Francesco Maresca is assistant professor in Mechanics and Materials Engineering at the University of Groningen (Netherlands) since 2019. He leads the Multi-Scale Mechanics group and supervises several PhD students. His research focuses on the multiscale modelling of fracture, phase transformations and dislocation plasticity in multi-phase alloys. Francesco graduated cum laude in Civil Engineering at the University of Florence (Italy, 2011). He received his PhD cum laude in Mechanical Engineering at the Eindhoven University of Technology (2015, Netherlands), supervised by Prof. Marc Geers and Prof. Varvara Kouznetsova. Francesco was postdoctoral researcher at EPFL (2015-2019, Switzerland), supervised by Prof. William Curtin.

On the impact of lattice parameter accuracy of atomistic simulations on the microstructure of Ni–Ti shape memory alloys

L La Rosa and F Maresca 2022 Modelling Simul. Mater. Sci. Eng. 30 014003

Ryan Sills

• Ryan Sills received his B.S from Cornell University, his M.S. from the University of Michigan, and his Ph.D. from Stanford University, all in Mechanical Engineering. Prior to joining the faculty in Materials Science and Engineering at Rutgers University in September 2019, he was a Staff Member at Sandia National Laboratories in Livermore, CA for 9 years. At Sandia, he served as a design engineer, researcher, and Principal Investigator for a research program on the mechanics and aging of hydrogen storage materials. He presently leads the microMechanics of Deformation (?MOD) Research Group at Rutgers, which uses multiscale materials modeling to understand how micromechanics influence the mechanical behaviors of materials. In January 2021, he received a Young Investigator Program award from the Army Research Office.

Monte Carlo-Discrete Dislocation Dynamics: a technique for studying the formation and evolution of dislocation structures

Nipal Deka and Ryan B Sills 2022 Modelling Simul. Mater. Sci. Eng. 30 024002

Tomohito Tsuru

• Tomohito Tsuru is a Principal Researcher at Japan Atomic Energy Agency (JAEA). His research interests are in computational materials design with particular emphasis on the study of defect mechanics. He also has extensive experience in large-scale atomistic simulations and density-functional theory. Prior to joining JAEA, he received his BS, MS, and PhD in Mechanical Science and Engineering from Osaka University.

Synergetic effect of Si addition on mechanical properties in face-centered-cubic high entropy alloys: a first-principles study

Tomohito Tsuru et al 2022 Modelling Simul. Mater. Sci. Eng. 30 024003

Modelling and Simulation in Materials Science and Engineering