Force and heat current formulas for many-body potentials in molecular dynamics 
simulations with applications to thermal conductivity calculations

Fan, Z. Y.; Pereira, L. F. C.; Wang, H. Q.; Zheng, J. C.; Donadio, Davide; Harju, A.

doi:10.1103/PhysRevB.92.094301

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Force and heat current formulas for many-body potentials in molecular dynamics simulations with applications to thermal conductivity calculations

Fan, Z. Y., Pereira, L. F. C., Wang, H. Q., Zheng, J. C., Donadio, D., & Harju, A. (2015). Force and heat current formulas for many-body potentials in molecular dynamics simulations with applications to thermal conductivity calculations. Physical Review B, 92(9): 094301. doi:10.1103/PhysRevB.92.094301.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0028-5E03-6 Version Permalink: https://hdl.handle.net/21.11116/0000-0003-D6BB-9

Genre: Journal Article

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Creators:
Fan, Z. Y., Author
Pereira, L. F. C., Author
Wang, H. Q., Author
Zheng, J. C., Author
Donadio, Davide^{1, 2}, Author
Harju, A., Author

Affiliations:
1MP Group Donadio: Theory of Nanostructures and Transport, MPI for Polymer Research, Max Planck Society, ou_1800294
2Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society, ou_1800287

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Language(s): eng - English

Dates: Date issued: 2015

Publication Status: Issued

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Identifiers: DOI: 10.1103/PhysRevB.92.094301

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Title: Physical Review B

Abbreviation : Phys. Rev. B

Source Genre: Journal

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Publ. Info: Woodbury, NY : American Physical Society

Pages: - Volume / Issue: 92 (9) Sequence Number: 094301 Start / End Page: - Identifier: ISSN: 1098-0121
CoNE: https://pure.mpg.de/cone/journals/resource/954925225008