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Volumn 228, Issue 19, 2009, Pages 7412-7425

Modelling transient heat conduction in solids at multiple length and time scales: A coupled non-equilibrium molecular dynamics/continuum approach

Author keywords

Atomistic continuum coupling; Boundary conditions; Heat transfer; Molecular dynamics; Multiscale modelling

Indexed keywords

HEAT CONDUCTION; MOLECULAR DYNAMICS; STOCHASTIC SYSTEMS; THERMOSTATS;

EID: 68549101502     PISSN: 00219991     EISSN: 10902716     Source Type: Journal    
DOI: 10.1016/j.jcp.2009.06.035     Document Type: Article
Times cited : (28)

References (40)
  • 1
    • 17244374413 scopus 로고    scopus 로고
    • Concurrent coupling of length scales: methodology and application
    • Broughton J.Q., Abrahams F.F., Bernstein N., and Kaxiras E. Concurrent coupling of length scales: methodology and application. Phys. Rev. B 60 (1999) 2391
    • (1999) Phys. Rev. B , vol.60 , pp. 2391
    • Broughton, J.Q.1    Abrahams, F.F.2    Bernstein, N.3    Kaxiras, E.4
  • 2
    • 0038579633 scopus 로고    scopus 로고
    • Atomistic/continuum coupling in computational materials science
    • Curtin W.A., and Miller R.E. Atomistic/continuum coupling in computational materials science. Modell. Simul. Mater. Sci. Eng. 11 (2003) R33-R68
    • (2003) Modell. Simul. Mater. Sci. Eng. , vol.11
    • Curtin, W.A.1    Miller, R.E.2
  • 3
    • 33646886648 scopus 로고    scopus 로고
    • Rapid thermal equilibration in coarse-grained molecular dynamics
    • Gill S.P.A., Jia Z., Leimkuhler B., and Cocks A.C.F. Rapid thermal equilibration in coarse-grained molecular dynamics. Phys. Rev. B 73 (2006) 184304
    • (2006) Phys. Rev. B , vol.73 , pp. 184304
    • Gill, S.P.A.1    Jia, Z.2    Leimkuhler, B.3    Cocks, A.C.F.4
  • 4
    • 38849164239 scopus 로고    scopus 로고
    • Variational boundary conditions for molecular dynamics simulations of solids at low temperature
    • Li X., and Weinan W.E. Variational boundary conditions for molecular dynamics simulations of solids at low temperature. Commun. Comp. Phys. 1 (2006) 135-175
    • (2006) Commun. Comp. Phys. , vol.1 , pp. 135-175
    • Li, X.1    Weinan, W.E.2
  • 5
    • 18544383450 scopus 로고    scopus 로고
    • Multiscale modelling of the dynamics of solids at finite temperature
    • Li X., and Weinan W.E. Multiscale modelling of the dynamics of solids at finite temperature. J. Mech. Phys. Solids 53 (2005) 1650-1685
    • (2005) J. Mech. Phys. Solids , vol.53 , pp. 1650-1685
    • Li, X.1    Weinan, W.E.2
  • 8
    • 1842809898 scopus 로고    scopus 로고
    • An introduction and tutorial on multiple-scale analysis in solids
    • Park H.S., and Liu W.K. An introduction and tutorial on multiple-scale analysis in solids. Comput. Meth. Appl. Mech. Eng. 193 (2004) 1733-1772
    • (2004) Comput. Meth. Appl. Mech. Eng. , vol.193 , pp. 1733-1772
    • Park, H.S.1    Liu, W.K.2
  • 9
    • 1842686562 scopus 로고    scopus 로고
    • A temperature equation for coupled atomistic/continuum simulations
    • Park H.S., Karpov E.G., and Liu W.K. A temperature equation for coupled atomistic/continuum simulations. Comput. Meth. Appl. Mech. Eng. 193 (2004) 1713-1732
    • (2004) Comput. Meth. Appl. Mech. Eng. , vol.193 , pp. 1713-1732
    • Park, H.S.1    Karpov, E.G.2    Liu, W.K.3
  • 10
    • 25844433763 scopus 로고    scopus 로고
    • A finite temperature dynamic coupled atomistic/discrete dislocation method
    • Qu S., Shastry V., Curtin W.A., and Miller R.E. A finite temperature dynamic coupled atomistic/discrete dislocation method. Modell. Simul. Mater. Sci. 13 (2005) 1101
    • (2005) Modell. Simul. Mater. Sci. , vol.13 , pp. 1101
    • Qu, S.1    Shastry, V.2    Curtin, W.A.3    Miller, R.E.4
  • 11
    • 0034339381 scopus 로고    scopus 로고
    • Concurrent coupling of length scales in solid state systems
    • Rudd R.E., and Broughton J.Q. Concurrent coupling of length scales in solid state systems. Phys. State Solid B217 (2000) 5893
    • (2000) Phys. State Solid , vol.B217 , pp. 5893
    • Rudd, R.E.1    Broughton, J.Q.2
  • 12
    • 1442285900 scopus 로고    scopus 로고
    • Multiscale plasticity modelling: coupled atomistic and discrete dislocation mechanics
    • Shilkrot L.E., Miller R.E., and Curtin W.A. Multiscale plasticity modelling: coupled atomistic and discrete dislocation mechanics. J. Mech. Phys. Solids 52 (2004) 755-787
    • (2004) J. Mech. Phys. Solids , vol.52 , pp. 755-787
    • Shilkrot, L.E.1    Miller, R.E.2    Curtin, W.A.3
  • 13
    • 1842686579 scopus 로고    scopus 로고
    • A bridging domain method for coupling continua with molecular dynamics
    • Xiao S.P., and Belytschko T. A bridging domain method for coupling continua with molecular dynamics. Comput. Meth. Appl. Mech. Eng. 193 (2004) 1645-1669
    • (2004) Comput. Meth. Appl. Mech. Eng. , vol.193 , pp. 1645-1669
    • Xiao, S.P.1    Belytschko, T.2
  • 15
    • 27144540906 scopus 로고    scopus 로고
    • Finite-temperature quasicontinuum: molecular dynamics without all the atoms
    • Dupuy L.M., Tadmor E.B., Miller R.E., and Phillips R. Finite-temperature quasicontinuum: molecular dynamics without all the atoms. Phys. Rev. Lett. 95 (2005) 060202
    • (2005) Phys. Rev. Lett. , vol.95 , pp. 060202
    • Dupuy, L.M.1    Tadmor, E.B.2    Miller, R.E.3    Phillips, R.4
  • 16
    • 33750432486 scopus 로고    scopus 로고
    • Effect of strain on the thermal conductivity of solids
    • Bhowmick S., and Shenoy V.B. Effect of strain on the thermal conductivity of solids. J. Chem. Phys. 125 (2006) 164513
    • (2006) J. Chem. Phys. , vol.125 , pp. 164513
    • Bhowmick, S.1    Shenoy, V.B.2
  • 17
    • 28744456147 scopus 로고    scopus 로고
    • Thermal conductivity and temperature in solid argon by non-equilibrium molecular dynamics simulations
    • Heino P. Thermal conductivity and temperature in solid argon by non-equilibrium molecular dynamics simulations. Phys. Rev. B 71 (2005) 144302
    • (2005) Phys. Rev. B , vol.71 , pp. 144302
    • Heino, P.1
  • 18
    • 32844475593 scopus 로고    scopus 로고
    • Evaluation of momentum conservation influence in non-equilibrium molecular dynamics methods to compute thermal conductivity
    • Huang Z., and Tang Z. Evaluation of momentum conservation influence in non-equilibrium molecular dynamics methods to compute thermal conductivity. Physica B 373 (2006) 291-296
    • (2006) Physica B , vol.373 , pp. 291-296
    • Huang, Z.1    Tang, Z.2
  • 19
    • 0000732063 scopus 로고    scopus 로고
    • Energy transport in anharmonic lattices close to and far from equilibrium
    • Lepri S., Livi R., and Politi A. Energy transport in anharmonic lattices close to and far from equilibrium. Physica D 119 (1998) 140-147
    • (1998) Physica D , vol.119 , pp. 140-147
    • Lepri, S.1    Livi, R.2    Politi, A.3
  • 20
    • 0037375035 scopus 로고    scopus 로고
    • Thermal conduction in classical low-dimensional lattices
    • Lepri S., Livi R., and Politi A. Thermal conduction in classical low-dimensional lattices. Phys. Rep. 377 (2003) 1
    • (2003) Phys. Rep. , vol.377 , pp. 1
    • Lepri, S.1    Livi, R.2    Politi, A.3
  • 21
    • 34948884714 scopus 로고    scopus 로고
    • Diffraction limited phonon thermal conductance of nanoconstrictions
    • Prasher R. Diffraction limited phonon thermal conductance of nanoconstrictions. Appl. Phys. Lett. 91 (2007) 143119
    • (2007) Appl. Phys. Lett. , vol.91 , pp. 143119
    • Prasher, R.1
  • 22
    • 0036537725 scopus 로고    scopus 로고
    • Comparison of atomic-level simulation methods for computing thermal conductivity
    • Schelling P.K., Phillpot S.R., and Keblinski P. Comparison of atomic-level simulation methods for computing thermal conductivity. Phys. Rev. B 65 (2002) 144306
    • (2002) Phys. Rev. B , vol.65 , pp. 144306
    • Schelling, P.K.1    Phillpot, S.R.2    Keblinski, P.3
  • 23
    • 0142020872 scopus 로고    scopus 로고
    • Thermal conductance through molecular wires
    • Segal D., and Nitzan A. Thermal conductance through molecular wires. J. Chem. Phys. 119 13 (2003) 6840
    • (2003) J. Chem. Phys. , vol.119 , Issue.13 , pp. 6840
    • Segal, D.1    Nitzan, A.2
  • 24
    • 34848890619 scopus 로고    scopus 로고
    • Thermal conductance across grain boundaries in diamond from molecular dynamics simulation
    • Watanabe T., Ni B., and Phillpot S.R. Thermal conductance across grain boundaries in diamond from molecular dynamics simulation. J. Appl. Phys. 102 (2007) 063503
    • (2007) J. Appl. Phys. , vol.102 , pp. 063503
    • Watanabe, T.1    Ni, B.2    Phillpot, S.R.3
  • 25
    • 22944456188 scopus 로고    scopus 로고
    • A non-equilibrium molecular dynamics method for thermal conductivities based on thermal noise
    • Terao T., and Muller-Plathe F. A non-equilibrium molecular dynamics method for thermal conductivities based on thermal noise. J. Chem. Phys. 122 (2005) 081103
    • (2005) J. Chem. Phys. , vol.122 , pp. 081103
    • Terao, T.1    Muller-Plathe, F.2
  • 26
    • 33847005283 scopus 로고
    • Correlations in the motion of atoms in liquid argon
    • Rahman A. Correlations in the motion of atoms in liquid argon. Phys. Rev. 136 2A (1964)
    • (1964) Phys. Rev. , vol.136 , Issue.2 A
    • Rahman, A.1
  • 27
    • 22944467757 scopus 로고
    • Computer "experiments" on classical fluids i thermodynamical properties of Lennard-Jones molecules
    • Verlet L. Computer "experiments" on classical fluids i thermodynamical properties of Lennard-Jones molecules. Phys. Rev. 159 1 (1967) 98
    • (1967) Phys. Rev. , vol.159 , Issue.1 , pp. 98
    • Verlet, L.1
  • 31
    • 0000416218 scopus 로고
    • Fracture simulations using large-scale molecular-dynamics
    • Holian B.L., and Ravelo R. Fracture simulations using large-scale molecular-dynamics. Phys. Rev. B. 51 (1995) 11275-11288
    • (1995) Phys. Rev. B. , vol.51 , pp. 11275-11288
    • Holian, B.L.1    Ravelo, R.2
  • 32
    • 36248988031 scopus 로고    scopus 로고
    • Analytical and numerical study of coupled atomistic-continuum methods for fluids
    • Ren W. Analytical and numerical study of coupled atomistic-continuum methods for fluids. J. Comp. Phys. 227 (2007) 1353-1371
    • (2007) J. Comp. Phys. , vol.227 , pp. 1353-1371
    • Ren, W.1
  • 33
    • 35348910160 scopus 로고    scopus 로고
    • A continuum-atomistic simulation of heat transfer in micro-and nano-flows
    • Liu J., Chen S., Nie X., and Robbins M.O. A continuum-atomistic simulation of heat transfer in micro-and nano-flows. J. Comp. Phys. 227 (2007) 279-291
    • (2007) J. Comp. Phys. , vol.227 , pp. 279-291
    • Liu, J.1    Chen, S.2    Nie, X.3    Robbins, M.O.4
  • 35
    • 16844364042 scopus 로고    scopus 로고
    • Hybrid atomistic-continuum method for the simulation of dense fluid flows
    • Werder T., Walther J.H., and Koumoutsakos P. Hybrid atomistic-continuum method for the simulation of dense fluid flows. J. Comp. Phys. 205 (2005) 373-390
    • (2005) J. Comp. Phys. , vol.205 , pp. 373-390
    • Werder, T.1    Walther, J.H.2    Koumoutsakos, P.3
  • 36
    • 3142710996 scopus 로고    scopus 로고
    • Langevin dynamics in constant pressure extended systems
    • Quigley D., and Probert M. Langevin dynamics in constant pressure extended systems. J. Chem. Phys. 120 (2004) 11432
    • (2004) J. Chem. Phys. , vol.120 , pp. 11432
    • Quigley, D.1    Probert, M.2
  • 38
    • 34347405100 scopus 로고    scopus 로고
    • Phonon-cavity-enhanced low temperature thermal conductance of a semiconductor nanowire with narrow constrictions
    • Huang W., Huang G., Wang L., and Huang B. Phonon-cavity-enhanced low temperature thermal conductance of a semiconductor nanowire with narrow constrictions. Phys. Rev. B 75 (2007) 233415
    • (2007) Phys. Rev. B , vol.75 , pp. 233415
    • Huang, W.1    Huang, G.2    Wang, L.3    Huang, B.4
  • 39
    • 34547341194 scopus 로고    scopus 로고
    • Effect of interface scattering on phonon thermal conductivity percolation in random nanowire composites
    • Tian W., and Yang R. Effect of interface scattering on phonon thermal conductivity percolation in random nanowire composites. Appl. Phys. Lett. 90 (2007) 263105
    • (2007) Appl. Phys. Lett. , vol.90 , pp. 263105
    • Tian, W.1    Yang, R.2
  • 40
    • 35348882173 scopus 로고    scopus 로고
    • Quantum thermal transport from classical molecular dynamics
    • Wang J. Quantum thermal transport from classical molecular dynamics. Phys. Rev. Lett. 99 (2007) 160601
    • (2007) Phys. Rev. Lett. , vol.99 , pp. 160601
    • Wang, J.1


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