An interatomic potential for saturated hydrocarbons based on the modified embedded-atom method-Reference-Cited by-同舟云学术

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An interatomic potential for saturated hydrocarbons based on the modified embedded-atom method

Published:2014 Issue:13 Volume:16 Page:6233-6249
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Nouranian S.¹²³,Tschopp M. A.¹²³⁴⁵,Gwaltney S. R.⁶²³,Baskes M. I.⁷²³,Horstemeyer M. F.¹²³⁸²

Affiliation:

1. Center for Advanced Vehicular Systems (CAVS)

2. Mississippi State University

3. Mississippi State, USA

4. Engility Corporation

5. (on site at) U.S. Army Research Laboratory

6. Department of Chemistry

7. Department of Aerospace Engineering

8. Department of Mechanical Engineering

Abstract

Extension of the computationally efficient modified embedded-atom method to hydrocarbons and polymers.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP00027G

Reference67 articles.

1. Semiempirical, Quantum Mechanical Calculation of Hydrogen Embrittlement in Metals

2. Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals

3. The embedded-atom method: a review of theory and applications

4. Application of the Embedded-Atom Method to Covalent Materials: A Semiempirical Potential for Silicon

5. Modified embedded-atom potentials for cubic materials and impurities

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