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Strain-stress relationship and dislocation evolution of W-Cu bilayers from a constructed n-body W-Cu potential.
J Phys Condens Matter 2019; 31(30):305002JP

Abstract

An n-body W-Cu potential is constructed under the framework of the embedded-atom method by means of a proposed function of the cross potential. This W-Cu potential is realistic to reproduce mechanical property and structural stability of WCu solid solutions within the entire composition range, and has better performances than the three W-Cu potentials already published in the literature. Based on this W-Cu potential, molecular dynamics simulation is conducted to reveal the mechanical property and dislocation evolution of the bilayer structure between pure W and W0.7Cu0.3 solid solution. It is found that the formation of the interface improves the strength of the W0.7Cu0.3 solid solutions along tensile loading perpendicular to the interface, as the interface impedes the evolution of the dislocation lines from the W0.7Cu0.3 solid solutions to the W part. Simulation also reveals that the interface has an important effect to significantly reduce the tensile strength and critical strain of W along the tensile loading parallel to the interface, which is intrinsically due to the slip of the edge or screw dislocations at low strains as a result of the lattice mismatch.

Authors+Show Affiliations

State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan 410083, People's Republic of China.No affiliation info availableNo affiliation info availableNo affiliation info available

Pub Type(s)

Journal Article

Language

eng

PubMed ID

30995616

Citation

Wei, W, et al. "Strain-stress Relationship and Dislocation Evolution of W-Cu Bilayers From a Constructed N-body W-Cu Potential." Journal of Physics. Condensed Matter : an Institute of Physics Journal, vol. 31, no. 30, 2019, p. 305002.
Wei W, Chen L, Gong HR, et al. Strain-stress relationship and dislocation evolution of W-Cu bilayers from a constructed n-body W-Cu potential. J Phys Condens Matter. 2019;31(30):305002.
Wei, W., Chen, L., Gong, H. R., & Fan, J. L. (2019). Strain-stress relationship and dislocation evolution of W-Cu bilayers from a constructed n-body W-Cu potential. Journal of Physics. Condensed Matter : an Institute of Physics Journal, 31(30), p. 305002. doi:10.1088/1361-648X/ab1a8a.
Wei W, et al. Strain-stress Relationship and Dislocation Evolution of W-Cu Bilayers From a Constructed N-body W-Cu Potential. J Phys Condens Matter. 2019 Jul 31;31(30):305002. PubMed PMID: 30995616.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Strain-stress relationship and dislocation evolution of W-Cu bilayers from a constructed n-body W-Cu potential. AU - Wei,W, AU - Chen,L, AU - Gong,H R, AU - Fan,J L, Y1 - 2019/04/17/ PY - 2019/4/18/pubmed PY - 2019/4/18/medline PY - 2019/4/18/entrez SP - 305002 EP - 305002 JF - Journal of physics. Condensed matter : an Institute of Physics journal JO - J Phys Condens Matter VL - 31 IS - 30 N2 - An n-body W-Cu potential is constructed under the framework of the embedded-atom method by means of a proposed function of the cross potential. This W-Cu potential is realistic to reproduce mechanical property and structural stability of WCu solid solutions within the entire composition range, and has better performances than the three W-Cu potentials already published in the literature. Based on this W-Cu potential, molecular dynamics simulation is conducted to reveal the mechanical property and dislocation evolution of the bilayer structure between pure W and W0.7Cu0.3 solid solution. It is found that the formation of the interface improves the strength of the W0.7Cu0.3 solid solutions along tensile loading perpendicular to the interface, as the interface impedes the evolution of the dislocation lines from the W0.7Cu0.3 solid solutions to the W part. Simulation also reveals that the interface has an important effect to significantly reduce the tensile strength and critical strain of W along the tensile loading parallel to the interface, which is intrinsically due to the slip of the edge or screw dislocations at low strains as a result of the lattice mismatch. SN - 1361-648X UR - https://www.unboundmedicine.com/medline/citation/30995616/Strain_stress_relationship_and_dislocation_evolution_of_W_Cu_bilayers_from_a_constructed_n_body_W_Cu_potential_ L2 - https://doi.org/10.1088/1361-648X/ab1a8a DB - PRIME DP - Unbound Medicine ER -