Abstract
It is very hard to solve kinetic equations directly. Thus, if we want to obtain information about the dynamics of a complicated system, we have to find another way.
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References
M.J. Abraham, D. Spoel, E. Lindahl, B. Hess, The GROMACS Development Team, in User manual (2015). www.gromacs.org
B.J. Alder, T.E. Wainwright, J. Chem. Phys. 27, 1208 (1957)
B.J. Alder, T.E. Wainwright, J. Chem. Phys. 31, 459 (1959)
D. Berthelot, Comptes rendus hebdomadaires des séances de l’Académie des Sciences 126, 1703 (1898)
R.A. Buckingham, Proc. R. Soc. London A 168, 264 (1938)
M.S. Dau, M.I. Baskes, Phys. Rev. B 29, 6443 (1984)
R. Diaz, Z. Guo, in Proceedings of CHT-15, 033 (2015)
E. Elsen, M. Houston, V. Vishal, E. Darve, P. Hanrahan, V. Pande, in Proceedings of the 2006 ACM/IEEE Conference on Supercomputing (2006)
J.E. Jones, Proc. R. Soc. A 106, 463
C. Kittel, Introduction to Solid State Physics. (Wiley, New York, 2005)
LAMMPS Documentation (2018). http://lammps.sandia.gov/doc/Manual.html
L. D. Landau, E. M. Lifshitz, Mechanics (Volume 1 of Course of Theoretical Physics) (1960)
H.A. Lorentz, Ann. Phys. 248, 127 (1881)
M. Mittring, in The GPU Gems series features a collection of the most essential algorithms required by next-generation 3D engines (2008). https://developer.nvidia.com/gpugems/GPUGems/gpugems_pref01.html
P.M. Morse, Phys. Rev. 34, 57 (1929)
NAMD, in NAMD user’s guide (2016). http://www.ks.uiuc.edu/Research/namd/
NVIDIA, in CUDA C programming guide (2018). www.nvidia.com
T. Ohara, J. Chem. Phys. 111, 9667 (1999)
A. Rahman. Phys. Rev. 136A, 405
H.R. Seyf, Y. Zhang, J. Heat Trans. 135, 121503 (2013)
S.M. Shavik, M.N. Hasan, A.K.M.M. Morshed, J. Electron. Packag. 138, 010904 (2016)
YuS Sigov, Computational Experiment: The Bridge Between the Past and the Future of Plasma Physics (Nauka, Moscow, 2001)
R.D. Skeel, BIT Numer. Math. 33, 172 (1993)
W.C. Swope, H.C. Andersen, P.H. Berens, K.R. Wilson, J. Chem. Phys. 76, 637 (1982)
M. Tabor, Chaos and Integrability in Nonlinear Dynamics (Wiley, New York, 1989)
J. Tersoff, Phys. Rev. B 37, 6991 (1988)
L. Verlet, Phys. Rev. 159, 98 (1967)
E. Whalley, W.G. Schneider, J. Chem. Phys. 23, 1644 (1955)
J.A. White, J. Chem. Phys. 111, 9352 (1999)
D.X. Xiong, Y.S. Xu, Z.Y. Guo, J. Therm. Sci. 5, 196 (1996)
Recommended Literatures
S.I. Anisimov, D.O. Dunikov, V.V. Zhakhovski, S.P. Malyshenko, J. Chem. Phys. 110, 8722 (1999)
A. Arkundato, Z. Su’ud, M. Abdullah, W. Sutrisno. Turkish J. Phys. 37, 132
H.J.C. Berendsen, J.P.M. Postma, W.F. Gunsteren, A. DiNola, J.R. Haak, J. Chem. Phys. 81, 3684 (1984)
P.H. Berens, K.R. Wilson, J. Chem. Phys. 76, 637 (1982)
F. Calvo, F. Berthias, L. Feketeova, H. Adboul-Carime, B. Farizon, M. Farizon, Europ. Phys. J. D 71, 110 (2017)
B. Cao, J. Xie, S.S. Sazhin, J. Chem. Phys. 134, 164309 (2011)
F. Chen, B.J. Hanson, M.A. Pasquinelli, AIMS Mater. Sci. 1, 121 (2014)
S. Cheng, G.S. Grest, J. Chem. Phys. 138, 064701 (2013)
R. Diaz, Z. Guo, Int. J. Comput. Method. 72, 891 (2017)
Y. Dou, L.V. Zhigilei, N. Winograd, B.J. Garrison, J. Phys. Chem. A 105, 2748 (2001)
D.O. Dunikov, S.P. Malyshenko, V.V. Zhakhovskii, J. Chem. Phys. 115, 6623 (2001)
A. Frezzotti, AIP Conf. Proc. 1333, 161 (2011)
T. Fu, Y. Mao, Y. Tang, Y. Zhang, W. Yuan, Nanoscale Microscale Thermophys. Eng. 19(1), 17 (2015)
T. Fu, Y. Mao, Y. Tang, Y. Zhang, W. Yuan, Heat Mass Transfer 52, 1469 (2016)
J.B. Gibson, A.N. Goland, M. Milgram, G.H. Vineyard, Phys. Rev. 120, 1229 (1960)
K. Gu, C.B. Watkins, J. Koplik, Phys. Fluids 22, 112002 (2010)
J. Guobin, L. Yuanyuan, Y. Bin, L. Dachun, Rare Met. 29, 323 (2010)
H.Y. Hou, G.L. Chen, G. Chen, Y.L. Shao, Comput. Mater. Sci. 46, 516 (2009)
T. Ishiyama, T. Yano, S. Fujikawa, Phys. Fluids 16, 2899 (2004)
E.K. Iskrenova, S.S. Patnaik, Int. J. Heat Mass Transfer 115, 474 (2017)
Khronos Group, in OpenCL 1.1 quick reference (2015)
K. Kobayashi, K. Hori, M. Kon, K. Sasaki, M. Watanabe, Heat Mass Transfer 52, 1851 (2016)
K. Kobayashi, K. Sasaki, M. Kon, H. Fujii, M. Watanabe, Microfluid. Nanofluid. 21, 23 (2017)
M. Kon, K. Kobayashi, M. Watanabe, AIP Conf. Proc. 1786, 110001 (2016)
A.P. Kryukov, VYu. Levashov, Heat Mass Transfer 52, 1393 (2016)
A.P. Kryukov, VYu. Levashov, N.V. Pavlyukevich, J. Eng. Thermophys. 87, 237 (2014)
AYu. Kuksin, G.E. Norman, V.V. Pisarev, V.V. Stegailov, A.V. Yanilkin, Hight Temp. 48, 511 (2010)
AYu. Kuksin, G.E. Norman, V.V. Stegailov, High Temp. 45, 37 (2007)
L. Li, J. Pengdei, Y. Zhang, Appl. Phys. A 122, 496 (2016)
L.N. Long, M.M. Micci, B.C. Wong, Comput. Phys. Commun. 96, 167 (1996)
A. Lotfi, J. Vrabec, J. Fischer, Int. J. Heat Mass Transf. 73, 303 (2014)
P. Louden, R. Schoenborn, C.P. Lawrence, Fluid Phase Equilib. 349, 83 (2013)
M. Matsumoto, Fluid Phase Equilib. 144, 307 (1998)
R. Meland, A. Frezzotti, T. Ytrehus, B. Hafskjold, Phys. Fluids 16, 223 (2004)
I.V. Morozov, G.E. Norman, A.A. Smyslov, High Temp. 46, 768 (2008)
G. Nagayama, M. Takematsu, H. Mizuguchi, T. Tsuruta, J. Chem. Phys. 143, 014706 (2015)
Z. Ru-Zeng, Y. Hong, Chin. Phys. B 20, 016801 (2011)
D. Sergi, G. Scocchi, A. Ortona, Fluid Phase Equilib. 332, 173 (2012)
B. Shi, S. Sinha, V.K. Dhir, J. Chem. Phys. 124, 204715 (2006)
W.B. Streett, D.J. Tildesley, G. Saville, Mol. Phys. 35, 639 (1978)
T. Tokumasu, T. Ohara, K. Kamijo, J. Chem. Phys. 118, 3677 (2003)
T. Tsuruta, G. Nagayama, J. Phys. Chem. B 108, 1736 (2004)
T. Tsuruta, H. Tanaka, T. Masuoka, Int. J. Heat Mass Transf. 42, 4107 (1999)
M.E. Tuckerman, B.J. Berne, G.J. Martyna, J. Chem. Phys. 94, 6811 (1991)
P. Varilly, D. Chandler, J. Phys. Chem. B 117, 1419 (2013)
J. Vrabec, J. Stoll, H. Hasse, Mol. Simul. 31, 215 (2005)
J. Wang, T. Hou, J. Chem. Theory Comput. 7, 2151 (2011)
W. Wang, H. Zhang, C. Tian, X. Meng, Nanoscale Res. Lett. 10, 158 (2015)
T. Werder, J.H. Walther, R.L. Jaffe, T. Halicioglu, F. Noca, P. Koumoutsakos, Nano Lett. 1, 697 (2001)
J. Xie, S.S. Sazhin, B. Cao, J. Therm. Sci. Technol. 7, 288 (2012)
K. Yasuoka, M. Matsumoto, Y. Kataoka. J. Mol. Liquids 65/66, 329 (1995)
K. Yasuoka, M. Matsumoto, Y. Kataoka, J. Chem. Phys. 101, 7904 (1994)
J. Yu, H. Wang, Int. J. Heat Mass Transf. 55, 1218 (2012)
V.V. ZhakhovskiÄ, S.I. Anisimov, J. Exp. Theor. Phys. 84, 734 (1997)
S. Zhang, F. Hao, H. Chen, W. Yuan, Y. Tang, X. Chen, Appl. Therm. Eng. 113, 208 (2017)
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Gerasimov, D.N., Yurin, E.I. (2018). Numerical Experiments: Molecular Dynamics Simulations. In: Kinetics of Evaporation. Springer Series in Surface Sciences, vol 68. Springer, Cham. https://doi.org/10.1007/978-3-319-96304-4_4
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