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Axel van de Walle

Brown University - School of Engineering

Box 1860

Providence, RI 02912

United States

  • Brown University - School of Engineering

SCHOLARLY PAPERS

11

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15

Scholarly Papers (11)

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1.

A Systematic Analysis of Phase Stability in Refractory High Entropy Alloys Utilizing Linear and Non-Linear Cluster Expansion Models

Number of pages: 44 Posted: 06 Apr 2021
Chiraag Nataraj, Edgar Josué Landinez Borda, Axel van de Walle and Amit Samanta
Brown University - School of Engineering, Lawrence Livermore National Laboratory, Brown University - School of Engineering and Lawrence Livermore National Laboratory - Physics Division
Downloads 136 (537,489)

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High-entropy alloys, Cluster expansion, Phase diagram, Phase stability, Multicomponent

2.

Probing Phase Stability in CrMoNbV Using Cluster Expansion Method, Calphad Calculations and Experiments

Number of pages: 18 Posted: 14 Mar 2023
Siya Zhu, Jibril Shittu, Aurélien Perron, Chiraag Nataraj, Joel Berry, Joseph McKeown, Axel van de Walle and Amit Samanta
Texas A&M University - Department of Materials Science and Engineering, Lawrence Livermore National Laboratory - Materials Science Division, Lawrence Livermore National Laboratory - Materials Science Division, Brown University - School of Engineering, Lawrence Livermore National Laboratory - Materials Science Division, Lawrence Livermore National Laboratory - Materials Science Division, Brown University - School of Engineering and Lawrence Livermore National Laboratory - Physics Division
Downloads 112 (630,858)

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cluster expansion, CALPHAD, High entropy alloy, CrMoNbV, phase stability, Solid solution, CrMo, CrNb, CrV, MoNb, MoV, NbV

3.

First-Principles Study of the Effect of Al and Hf Impurities on Co 3W Antiphase Boundary Energies

Number of pages: 22 Posted: 19 Mar 2021
Chiraag Nataraj, Ruoshi Sun, Christopher Woodward and Axel van de Walle
Brown University - School of Engineering, Brown University - School of Engineering, Government of the United States of America - Materials and Manufacturing Directorate and Brown University - School of Engineering
Downloads 87 (759,537)

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Antiphase boundary, Cluster expansion, Cobalt-base superalloys, L12

4.

Xtdb, an Xml Based Format for Calphad Databases

Number of pages: 54 Posted: 15 Apr 2025
Bo Sundman, Fabio Miani, Axel van de Walle, Bengt Hallstedt, Ursula R. Kattner, Florian Tang, Taichi Abe, Reza Naraghi, E Povoden-Karadeniz, Aurelie Jacob, Shuanglin Chen, Richard Otis, Kazuhisa Shobu, Malin Selleby and Alexander Pisch
affiliation not provided to SSRN, affiliation not provided to SSRN, Brown University - School of Engineering, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, National Institute for Materials Science, Thermo-Calc Software AB, Institute of Materials Science and Technology - Christian Doppler Laboratory for Interfaces and Precipitation Engineering CDL-IPE, Vienna University of Technology - Institute of Materials Science and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and University Grenoble Alpes - SIMaP
Downloads 85 (771,553)

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Computational Thermodynakics, CALPHAD, Models, Model parameters, Databases, XML

5.

Special Glass Structures for First Principles Studies of Bulk Metallic Glasses

Number of pages: 22 Posted: 15 Jun 2023
Siya Zhu, Jan Schroers, Stefano Curtarolo, Hagen Eckert and Axel van de Walle
Texas A&M University - Department of Materials Science and Engineering, Yale University - Department of Mechanical Engineering and Materials Science, Duke University - Center for Autonomous Materials Design, Duke University - Center for Autonomous Materials Design and Brown University - School of Engineering
Downloads 75 (837,727)
Citation 15

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Metallic glass, First-principles calculations, Reverse Monte Carlo

6.

Revisiting Derivatives at Equilibrium to Establish a Differentiable Metric for Phase Stability

Number of pages: 28 Posted: 19 Mar 2024
Courtney Kunselman, Brandon J. Bocklund, Axel van de Walle, Richard Otis and R. Arroyave
Texas A&M University - Department of Materials Science and Engineering, Lawrence Livermore National Laboratory, Brown University - School of Engineering, Proteus Space, Inc. and Texas A&M University - Department of Materials Science and Engineering
Downloads 72 (860,052)

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CALPHAD, Equilibrium calculations, thermodynamics

7.

A Computational Free Energy Reference for Mechanically Unstable Phases

Number of pages: 9 Posted: 29 Apr 2025
Hantong Chen, Qi-Jun Hong, Alexandra Navrotsky and Axel van de Walle
Brown University, Arizona State University (ASU), Arizona State University (ASU) - School of Molecular Sciences and Center for Materials of the Universe and Brown University - School of Engineering
Downloads 50 (1,063,489)

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reference energy, mechanical instability, inflection-detection, CALPHAD

8.

Revisiting the Sgte Lattice Stability of Bcc Aluminum

Number of pages: 11 Posted: 19 Jun 2023
Axel van de Walle, Sayan Samanta, Chiraag Nataraj, Siya Zhu, Hantong Chen, Helena Liu and R. Arroyave
Brown University - School of Engineering, Brown University, Brown University - School of Engineering, Texas A&M University - Department of Materials Science and Engineering, Brown University, Brown University and Texas A&M University - Department of Materials Science and Engineering
Downloads 49 (1,074,648)

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mechanical instability, inflection point, first-principles calculations

9.

A Non-Local Orientation Field Phase-Field Model for Misorientation- and Inclination- Dependent Grain Boundaries

Number of pages: 37 Posted: 17 Dec 2025
Xiao Han and Axel van de Walle
Brown University and Brown University - School of Engineering
Downloads 28 (1,345,526)

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Phase-field, grain boundary, orientation field, misorientation, inclination, non-local

10.

A Non-Local Orientation Field Phase-Field Model for Misorientations- and Inclination- Dependent Grain Boundaries

Number of pages: 37 Posted: 09 Sep 2025
Xiao Han and Axel van de Walle
Brown University and Brown University - School of Engineering
Downloads 27 (1,359,097)

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Phase-field, grain boundary, orientation field, misorientation, inclination, non-local

11.

Pilot-waves and copilot-particles: A nonstochastic approach to objective wavefunction collapse

Number of pages: 27 Posted: 01 Jun 2026
Axel van de Walle
Brown University - School of Engineering
Downloads 7 (1,579,934)

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Measurement postulate, Bohmian mechanics, Nonlinear wave equation