Effects of pairwise versus many-body forces on high-stress plastic deformation

Journal Article · Fri Mar 15 00:00:00 EST 1991 · Physical Review, A; (USA)

DOI:https://doi.org/10.1103/PhysRevA.43.2655· OSTI ID:5711667

Holian, B L; Voter, A F; Wagner, N J; Ravelo, R J; Chen, S P ^[1]; Hoover, W G; Hoover, C G ^[2]; Hammerberg, J E ^[3]; Dontje, T D ^[4]

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1. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (USA)
2. Lawrence Livermore National Laboratory, Livermore, California 94550 (USA)
3. Applied Theoretical Physics Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (USA)
4. Thinking Machines Corporation, Cambridge, Massachusetts 02142 (USA)

We propose a model embedded-atom (many-body) potential and test it against an effective, density-independent, pairwise-additive potential in a variety of nonequilibrium molecular-dynamics simulations of plastic deformation under high stress. Even though both kinds of interactions have nearly the same equilibrium equation of state, the defect energies (i.e., vacancy formation and surface energies) are quite different. As a result, we observe significant qualitative differences in flow behavior between systems characterized by purely pairwise interactions versus higher-order many-body forces.

• DOE Contract Number: W-7405-ENG-36; W-7405-ENG-48
• OSTI ID: 5711667
• Journal Information: Physical Review, A; (USA), Vol. 43:6; ISSN 1050-2947
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
PLASTICS
DEFORMATION
ATOMIC MODELS
COMPARATIVE EVALUATIONS
INTERACTIONS
MANY-BODY PROBLEM
POTENTIALS
STRESSES
MATERIALS
MATHEMATICAL MODELS
PETROCHEMICALS
PETROLEUM PRODUCTS
SYNTHETIC MATERIALS
656000* - Condensed Matter Physics