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Volumn 54, Issue 21-22, 2011, Pages 4540-4548

Molecular dynamics study of the thermal conductivity of amorphous nanoporous silica

Author keywords

Effective medium approximation; Mesoporous; Molecular dynamics; Nanoporous; Nanoscale heat transfer

Indexed keywords

AMORPHOUS SILICA MATRIX; CELL LENGTHS; COHERENT POTENTIAL; CONTINUUM THEORY; EFFECTIVE MEDIUM APPROXIMATION; EXPERIMENTAL MEASUREMENTS; HEXAGONAL MESOPOROUS SILICA; INTERATOMIC INTERACTIONS; MAXWELL-GARNETT MODELS; MD SIMULATION; MESOPOROUS; MONODISPERSE; NANO SCALE; NANO-POROUS; NANOPOROUS SILICA; NANOPOROUS STRUCTURES; NONEQUILIBRIUM MOLECULAR DYNAMICS; PORE DIAMETERS; ROOM TEMPERATURE; SIMPLE-CUBIC LATTICES; SPHERICAL PORES;

EID: 79960626417     PISSN: 00179310     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijheatmasstransfer.2011.06.024     Document Type: Article
Times cited : (74)

References (53)
  • 2
    • 42649123381 scopus 로고    scopus 로고
    • Improvement of uncooled infrared imaging detector by using mesoporous silica as a thermal isolation layer
    • DOI 10.1016/j.ceramint.2007.09.088, PII S0272884207002878
    • S.G. Choi, T.J. Ha, B.G. Yu, S.P. Jaung, O. Kwon, and H.H. Park Improvement of uncooled infrared imaging detector by using mesoporous silica as a thermal isolation layer Ceramics Int. 34 4 2008 833 836 (Pubitemid 351601937)
    • (2008) Ceramics International , vol.34 , Issue.4 , pp. 833-836
    • Choi, S.G.1    Ha, T.-J.2    Yu, B.-G.3    Jaung, S.P.4    Kwon, O.5    Park, H.-H.6
  • 3
    • 69149107193 scopus 로고    scopus 로고
    • Thermal conductivity of cubic and hexagonal mesoporous silica thin films
    • T. Coquil, E.K. Richman, N. Hutchinson, S.H. Tolbert, and L. Pilon Thermal conductivity of cubic and hexagonal mesoporous silica thin films J. Appl. Phys. 106 3 2009 034910
    • (2009) J. Appl. Phys. , vol.106 , Issue.3 , pp. 034910
    • Coquil, T.1    Richman, E.K.2    Hutchinson, N.3    Tolbert, S.H.4    Pilon, L.5
  • 5
    • 36849140266 scopus 로고
    • Markoff random processes and the statistical mechanics of time-dependent phenomena. II. Irreversible processes in fluids
    • M.S. Green Markoff random processes and the statistical mechanics of time-dependent phenomena. II. Irreversible processes in fluids J. Chem. Phys. 22 3 1954 398 413
    • (1954) J. Chem. Phys. , vol.22 , Issue.3 , pp. 398-413
    • Green, M.S.1
  • 6
    • 0001008517 scopus 로고
    • Statistical-mechanical theory of irreversible processes. II. Response to thermal disturbance
    • R. Kubo, M. Yokota, and S. Nakajima Statistical-mechanical theory of irreversible processes. II. Response to thermal disturbance J. Phys. Soc. Jpn 12 11 1957 1203 1211
    • (1957) J. Phys. Soc. Jpn , vol.12 , Issue.11 , pp. 1203-1211
    • Kubo, R.1    Yokota, M.2    Nakajima, S.3
  • 7
    • 0036537725 scopus 로고    scopus 로고
    • Comparison of atomic-level simulation methods for computing thermal conductivity
    • P.K. Schelling, S.R. Phillpot, and P. Keblinski Comparison of atomic-level simulation methods for computing thermal conductivity Phys. Rev. B 65 14 2002 144306
    • (2002) Phys. Rev. B , vol.65 , Issue.14 , pp. 144306
    • Schelling, P.K.1    Phillpot, S.R.2    Keblinski, P.3
  • 8
    • 0031559226 scopus 로고    scopus 로고
    • A simple nonequilibrium molecular dynamics method for calculating the thermal conductivity
    • F. Müller-Plathe A simple nonequilibrium molecular dynamics method for calculating the thermal conductivity J. Chem. Phys. 106 14 1997 6082 6085
    • (1997) J. Chem. Phys. , vol.106 , Issue.14 , pp. 6082-6085
    • Müller-Plathe, F.1
  • 9
    • 35948983443 scopus 로고    scopus 로고
    • Estimating thermal conductivity of amorphous silica nanoparticles and nanowires using molecular dynamics simulations
    • S.S. Mahajan, G. Subbarayan, and B.G. Sammakia Estimating thermal conductivity of amorphous silica nanoparticles and nanowires using molecular dynamics simulations Phys. Rev. E 76 5 2007 056701
    • (2007) Phys. Rev. e , vol.76 , Issue.5 , pp. 056701
    • Mahajan, S.S.1    Subbarayan, G.2    Sammakia, B.G.3
  • 10
    • 0001069477 scopus 로고
    • Thermal conductivity of the Lennard-Jones liquid by molecular dynamics calculations
    • R. Vogelsang, C. Hoheisel, and G. Ciccotti Thermal conductivity of the Lennard-Jones liquid by molecular dynamics calculations J. Chem. Phys. 86 11 1987 6371 6375
    • (1987) J. Chem. Phys. , vol.86 , Issue.11 , pp. 6371-6375
    • Vogelsang, R.1    Hoheisel, C.2    Ciccotti, G.3
  • 11
    • 0343341620 scopus 로고    scopus 로고
    • Thermal conductivity of carbon nanotubes
    • J. Che, T. agin, and W.A. Goddard III Thermal conductivity of carbon nanotubes Nanotechnology 11 2 2000 65 69
    • (2000) Nanotechnology , vol.11 , Issue.2 , pp. 65-69
    • Che, J.1    Agin, T.2    Goddard III, W.A.3
  • 12
    • 0032099753 scopus 로고    scopus 로고
    • Atomistic modeling of finite-temperature properties of crystalline β-SiC II. Thermal conductivity and effects of point defects
    • PII S0022311598000348
    • J. Li, L. Porter, and S. Yip Atomistic modeling of finite-temperature properties of crystalline β- SiC: II. Thermal conductivity and effects of point defects J. Nuclear Mater. 255 2-3 1998 139 152 (Pubitemid 128414425)
    • (1998) Journal of Nuclear Materials , vol.255 , Issue.2-3 , pp. 139-152
    • Li, J.1    Porter, L.2    Yip, S.3
  • 13
    • 0001344146 scopus 로고    scopus 로고
    • Molecular-dynamics simulation of thermal conductivity of silicon crystals
    • S.G. Volz, and G. Chen Molecular-dynamics simulation of thermal conductivity of silicon crystals Phys. Rev. B 61 4 2000 2651 2656
    • (2000) Phys. Rev. B , vol.61 , Issue.4 , pp. 2651-2656
    • Volz, S.G.1    Chen, G.2
  • 14
    • 1642538372 scopus 로고    scopus 로고
    • Thermal conductivity decomposition and analysis using molecular dynamics simulations Part II. Complex silica structures
    • DOI 10.1016/j.ijheatmasstransfer.2003.11.009
    • A.J.H. McGaughey, and M. Kaviany Thermal conductivity decomposition and analysis using molecular dynamics simulations: Part II. Complex silica structures Int. J. Heat Mass Transfer 47 8-9 2004 1799 1816 (Pubitemid 38122702)
    • (2004) International Journal of Heat and Mass Transfer , vol.47 , Issue.8-9 , pp. 1799-1816
    • McGaughey, A.J.H.1    Kaviany, M.2
  • 15
    • 4243754961 scopus 로고
    • Computer simulation of local order in condensed phases of silicon
    • F.H. Stillinger, and T.A. Weber Computer simulation of local order in condensed phases of silicon Phys. Rev. B 31 8 1985 5262 5271
    • (1985) Phys. Rev. B , vol.31 , Issue.8 , pp. 5262-5271
    • Stillinger, F.H.1    Weber, T.A.2
  • 16
    • 67349172921 scopus 로고    scopus 로고
    • Thermal conductivity of amorphous and crystalline thin films by molecular dynamics simulation
    • Z. Huang, Z. Tang, J. Yu, and S. Bai Thermal conductivity of amorphous and crystalline thin films by molecular dynamics simulation Phys. B Condens. Matter 404 12-13 2009 1790 1793
    • (2009) Phys. B Condens. Matter , vol.404 , Issue.1213 , pp. 1790-1793
    • Huang, Z.1    Tang, Z.2    Yu, J.3    Bai, S.4
  • 17
    • 37649030942 scopus 로고    scopus 로고
    • Thermal conductivity of crystalline quartz from classical simulations
    • Y.G. Yoon, R. Car, D.J. Srolovitz, and S. Scandolo Thermal conductivity of crystalline quartz from classical simulations Phys. Rev. B 70 1 2004 012302
    • (2004) Phys. Rev. B , vol.70 , Issue.1 , pp. 012302
    • Yoon, Y.G.1    Car, R.2    Srolovitz, D.J.3    Scandolo, S.4
  • 18
    • 0001664075 scopus 로고    scopus 로고
    • Molecular-dynamics calculation of the thermal conductivity of vitreous silica
    • P. Jund, and R. Jullien Molecular-dynamics calculation of the thermal conductivity of vitreous silica Phys. Rev. B 59 21 1999 13707 13711
    • (1999) Phys. Rev. B , vol.59 , Issue.21 , pp. 13707-13711
    • Jund, P.1    Jullien, R.2
  • 19
    • 11944254490 scopus 로고
    • Force fields for silicas and aluminophosphates based on ab initio calculations
    • B.W.H. van Beest, G.J. Kramer, and R.A. van Santen Force fields for silicas and aluminophosphates based on ab initio calculations Phys. Rev. Lett. 64 16 1990 1955 1958
    • (1990) Phys. Rev. Lett. , vol.64 , Issue.16 , pp. 1955-1958
    • Van Beest, B.W.H.1    Kramer, G.J.2    Van Santen, R.A.3
  • 20
    • 0000648454 scopus 로고    scopus 로고
    • Finite size effects in simulations of glass dynamics
    • W. Horbach, J. Kob, K. Binder, and C.A. Angell Finite size effects in simulations of glass dynamics Phys. Rev. E 54 6 1996 R5897 R5900
    • (1996) Phys. Rev. e , vol.54 , Issue.6
    • Horbach, W.1    Kob, J.2    Binder, K.3    Angell, C.A.4
  • 21
    • 33750433872 scopus 로고    scopus 로고
    • Domain size effects in molecular dynamics simulation of phonon transport in silicon
    • L. Sun, and J.Y. Murthy Domain size effects in molecular dynamics simulation of phonon transport in silicon Appl. Phys. Lett. 89 17 2006 171919
    • (2006) Appl. Phys. Lett. , vol.89 , Issue.17 , pp. 171919
    • Sun, L.1    Murthy, J.Y.2
  • 23
    • 9744246848 scopus 로고    scopus 로고
    • Molecular dynamics simulation of thermal conduction in nanoporous thin films
    • J.R. Lukes, and C.L. Tien Molecular dynamics simulation of thermal conduction in nanoporous thin films Microsc. Thermophys. Eng. 8 4 2004 341 359
    • (2004) Microsc. Thermophys. Eng. , vol.8 , Issue.4 , pp. 341-359
    • Lukes, J.R.1    Tien, C.L.2
  • 24
    • 36549051185 scopus 로고    scopus 로고
    • Lattice thermal conductivity of nanoporous Si: Molecular dynamics study
    • J.H. Lee, J.C. Grossman, J. Reed, and G. Galli Lattice thermal conductivity of nanoporous Si: molecular dynamics study Appl. Phys. Lett. 91 22 2007 223110
    • (2007) Appl. Phys. Lett. , vol.91 , Issue.22 , pp. 223110
    • Lee, J.H.1    Grossman, J.C.2    Reed, J.3    Galli, G.4
  • 25
    • 77954883831 scopus 로고    scopus 로고
    • Predicting phonon dispersion relations and lifetimes from the spectral energy density
    • J.A. Thomas, J.E. Turney, R.M. Iutzu, C.H. Amon, and A.J.H. McGaughey Predicting phonon dispersion relations and lifetimes from the spectral energy density Phys. Rev. B 81 8 2010 081411
    • (2010) Phys. Rev. B , vol.81 , Issue.8 , pp. 081411
    • Thomas, J.A.1    Turney, J.E.2    Iutzu, R.M.3    Amon, C.H.4    McGaughey, A.J.H.5
  • 26
    • 77954833245 scopus 로고    scopus 로고
    • Thermal conductivity and phonon transport in empty and water-filled carbon nanotubes
    • J.A. Thomas, R.M. Iutzu, and A.J.H. McGaughey Thermal conductivity and phonon transport in empty and water-filled carbon nanotubes Phys. Rev. B 81 4 2010 045413
    • (2010) Phys. Rev. B , vol.81 , Issue.4 , pp. 045413
    • Thomas, J.A.1    Iutzu, R.M.2    McGaughey, A.J.H.3
  • 27
    • 34547130087 scopus 로고    scopus 로고
    • Thermal conductivity of individual single-wall carbon nanotubes
    • DOI 10.1115/1.2717242
    • J.R. Lukes, and H. Zhong Thermal conductivity of individual single-wall carbon nanotubes ASME J. Heat Transfer 129 2007 705 716 (Pubitemid 47096476)
    • (2007) Journal of Heat Transfer , vol.129 , Issue.6 , pp. 705-716
    • Lukes, J.R.1    Zhong, H.2
  • 28
    • 79954476475 scopus 로고    scopus 로고
    • Heat transport in amorphous silicon: Interplay between morphology and disorder
    • Y. He, D. Donadio, and G. Galli Heat transport in amorphous silicon: interplay between morphology and disorder Appl. Phys. Lett. 98 14 2011 144101
    • (2011) Appl. Phys. Lett. , vol.98 , Issue.14 , pp. 144101
    • He, Y.1    Donadio, D.2    Galli, G.3
  • 29
    • 0034251715 scopus 로고    scopus 로고
    • Molecular dynamics study of solid thin-film thermal conductivity
    • J.R. Lukes, D.Y. Li, X.-G. Liang, and C.-L. Tien Molecular dynamics study of solid thin-film thermal conductivity ASME J. Heat Transfer 122 3 2000 536 543
    • (2000) ASME J. Heat Transfer , vol.122 , Issue.3 , pp. 536-543
    • Lukes, J.R.1    Li, D.Y.2    Liang, X.-G.3    Tien, C.-L.4
  • 30
    • 0002467378 scopus 로고
    • Fast parallel algorithms for short-range molecular dynamics
    • S.J. Plimpton Fast parallel algorithms for short-range molecular dynamics J. Comput. Phys. 117 1995 1 19 http://lammps.sandia.gov
    • (1995) J. Comput. Phys. , vol.117 , pp. 1-19
    • Plimpton, S.J.1
  • 32
    • 0000440872 scopus 로고
    • Structure and elastic properties of quartz at pressure, P = 1 atm
    • L. Levien, C.T. Prewitt, and D.J. Weidner Structure and elastic properties of quartz at pressure, P = 1 atm Am. Mineral. 64 1980 920 930
    • (1980) Am. Mineral. , vol.64 , pp. 920-930
    • Levien, L.1    Prewitt, C.T.2    Weidner, D.J.3
  • 33
    • 0001631948 scopus 로고    scopus 로고
    • Simulation of thermal conductivity and heat transport in solids
    • C. Oligschleger, and J.C. Schön Simulation of thermal conductivity and heat transport in solids Phys. Rev. B 59 6 1999 4125 4133
    • (1999) Phys. Rev. B , vol.59 , Issue.6 , pp. 4125-4133
    • Oligschleger, C.1    Schön, J.C.2
  • 34
    • 0035826421 scopus 로고    scopus 로고
    • Simulation of material properties below the debye temperature: A path-integral molecular dynamics case study of quartz
    • M.H. Müser Simulation of material properties below the debye temperature: a path-integral molecular dynamics case study of quartz J. Chem. Phys. 114 14 2001 705 716
    • (2001) J. Chem. Phys. , vol.114 , Issue.14 , pp. 705-716
    • Müser, M.H.1
  • 35
    • 0345270857 scopus 로고    scopus 로고
    • A numerical investigation of the liquid-vapor coexistence curve of silica
    • Y. Guissani, and B. Guillot A numerical investigation of the liquid-vapor coexistence curve of silica J. Chem. Phys. 104 19 1996 7633 7644 (Pubitemid 126717357)
    • (1996) Journal of Chemical Physics , vol.104 , Issue.19 , pp. 7633-7644
    • Guissani, Y.1    Guillot, B.2
  • 37
    • 34547809547 scopus 로고
    • A unified formulation of the constant temperature molecular dynamics methods
    • S. Nose A unified formulation of the constant temperature molecular dynamics methods J. Chem. Phys. 81 1 1984 511 519
    • (1984) J. Chem. Phys. , vol.81 , Issue.1 , pp. 511-519
    • Nose, S.1
  • 38
    • 0001538909 scopus 로고
    • Canonical dynamics: Equilibrium phase-space distributions
    • W.G. Hoover Canonical dynamics: equilibrium phase-space distributions Phys. Rev. A 31 3 1985 1695 1697
    • (1985) Phys. Rev. A , vol.31 , Issue.3 , pp. 1695-1697
    • Hoover, W.G.1
  • 39
    • 0001497255 scopus 로고    scopus 로고
    • Cooling-rate effects in amorphous silica: A computer-simulation study
    • K. Vollmayr, W. Kob, and K. Binder Cooling-rate effects in amorphous silica: a computer-simulation study Phys. Rev. B 54 22 1996 15808 15827
    • (1996) Phys. Rev. B , vol.54 , Issue.22 , pp. 15808-15827
    • Vollmayr, K.1    Kob, W.2    Binder, K.3
  • 43
    • 0040151682 scopus 로고    scopus 로고
    • Heat transport in dielectric thin films and at solid-solid interfaces
    • C.L. Tien, A. Majumdar, F.M. Gerner, Taylor and Francis Washington, DC
    • D.G. Cahill Heat transport in dielectric thin films and at solid-solid interfaces C.L. Tien, A. Majumdar, F.M. Gerner, Microscale Energy Transport 1998 Taylor and Francis Washington, DC 85 118
    • (1998) Microscale Energy Transport , pp. 85-118
    • Cahill, D.G.1
  • 44
    • 0036496754 scopus 로고    scopus 로고
    • Thermal conductivity and sound velocities of hydrogen-silsesquioxane low-k dielectrics
    • R.M. Costescu, A.J. Bullen, G. Matamis, K.E. O'Hara, and D.G. Cahill Thermal conductivity and sound velocities of hydrogen-silsesquioxane low-k dielectrics Phys. Rev. B 65 9 2002 094205
    • (2002) Phys. Rev. B , vol.65 , Issue.9 , pp. 094205
    • Costescu, R.M.1    Bullen, A.J.2    Matamis, G.3    O'Hara, K.E.4    Cahill, D.G.5
  • 46
    • 0031143265 scopus 로고    scopus 로고
    • Effective thermal conductivity of particulate composites with interfacial thermal resistance
    • C.W. Nan, R. Birringer, D.R. Clarke, and H. Gleiter Effective thermal conductivity of particulate composites with interfacial thermal resistance J. Appl. Phys. 81 10 1997 6692
    • (1997) J. Appl. Phys. , vol.81 , Issue.10 , pp. 6692
    • Nan, C.W.1    Birringer, R.2    Clarke, D.R.3    Gleiter, H.4
  • 48
    • 5244347502 scopus 로고
    • The electrical resistance of binary metallic mixtures
    • R. Landauer The electrical resistance of binary metallic mixtures J. Appl. Phys. 23 7 1952 779 784
    • (1952) J. Appl. Phys. , vol.23 , Issue.7 , pp. 779-784
    • Landauer, R.1
  • 49
    • 0037815166 scopus 로고    scopus 로고
    • The method of volume averaging
    • J. Bear, Kluwer Academic Publisher Dordrecht, The Netherlands
    • S. Whitaker The Method of Volume Averaging J. Bear, Theory and Applications of Transport in Porous Media vol. 13 1999 Kluwer Academic Publisher Dordrecht, The Netherlands
    • (1999) Theory and Applications of Transport in Porous Media , vol.13 VOL.
    • Whitaker, S.1
  • 51
    • 84980703555 scopus 로고
    • Berechnung verschiedener physikalischer konstanten von heterogenen substanzen. I. D ielektrizitStskonstanten und leitfähigkeiten der mischkörper aus isotropen substanzen
    • D.A.G. Bruggeman Berechnung verschiedener physikalischer konstanten von heterogenen substanzen. I. D ielektrizitStskonstanten und leitfähigkeiten der mischkörper aus isotropen substanzen Annalen der Physik (Leipzig) 416 7 1935 636 664
    • (1935) Annalen der Physik (Leipzig) , vol.416 , Issue.7 , pp. 636-664
    • Bruggeman, D.A.G.1
  • 53
    • 77952975389 scopus 로고    scopus 로고
    • Thermal conductivity of graphene ribbons from equilibrium molecular dynamics: Effect of ribbon width, edge roughness, and hydrogen termination
    • W.J. Evans, L. Hu, and P. Keblinski Thermal conductivity of graphene ribbons from equilibrium molecular dynamics: effect of ribbon width, edge roughness, and hydrogen termination Appl. Phys. Lett. 96 20 2010 203112
    • (2010) Appl. Phys. Lett. , vol.96 , Issue.20 , pp. 203112
    • Evans, W.J.1    Hu, L.2    Keblinski, P.3


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