Structural search for stable Mg–Ca alloys accelerated with a neural network interatomic model-Reference-Cited by-同舟云学术

Structural search for stable Mg–Ca alloys accelerated with a neural network interatomic model

Published:2018 Issue:43 Volume:20 Page:27545-27557
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ibarra-Hernández Wilfredo¹²³⁴⁵^ORCID,Hajinazar Samad⁶⁷⁸⁹¹⁰^ORCID,Avendaño-Franco Guillermo⁴⁵¹¹¹²,Bautista-Hernández Alejandro¹²³^ORCID,Kolmogorov Aleksey N.⁶⁷⁸⁹¹⁰,Romero Aldo H.¹²³⁴⁵^ORCID

Affiliation:

1. Facultad de Ingeniería-BUAP

2. Apartado Postal J-39

3. Mexico

4. Department of Physics and Astronomy

5. West Virginia University

6. Department of Physics

7. Applied Physics and Astronomy

8. Binghamton University

9. State University of New York

10. Binghamton

11. Morgantown

12. USA

Abstract

We have combined a neural network formalism with metaheuristic structural global search algorithms to systematically screen the Mg–Ca binary system for new (meta)stable alloys.

Funder

National Science Foundation

Consejo Nacional de Ciencia y Tecnología

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP05314F

Reference105 articles.

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