Molecular simulations of thermal transport across interfaces: solid–vapour and solid–solid

References

• Swartz , E.T. and Pohl , R.O. 1989 . Thermal-boundary resistance . Rev. Modern Phys. , 61 : 605 – 668 .
   Google Scholar
• Darabi , J. 2002 . Micro- and nanoscale heat transfer: Challenges and opportunities . Heat Transf. Eng. , 23 : 1 – 2 .
   Web of Science ®Google Scholar
• Chen , G. 2000 . Particularities of heat conduction in nanostructures . J. Nanoparticle Res. , 2 : 199 – 204 .
   Web of Science ®Google Scholar
• Thome , J.R. 2006 . The new frontier in heat transfer: Microscale and nanoscale technologies . Heat Transf. Eng. , 27 : 1 – 3 .
   Web of Science ®Google Scholar
• Kapitza , P.L. 1941 . The study of heat transfer in helium II . J. Phys. USSR , 4 : 181 – 210 .
   Google Scholar
• Pollack , G.L. 1969 . Kapitza resistance . Rev. Modern Phys. , 41 : 48 – 81 .
   Google Scholar
• Ferrell , R.A. , Bhattacharjee , J.K. and Mukhin , S.I. 1998 . Theory for normal state critical Kapitza resistance of He-4 . Low Temperature Phys. , 24 : 76 – 77 .
   Web of Science ®Google Scholar
• Challis , L.J. 1974 . Kapitza resistance and acoustic transmission across boundaries at high frequencies . J. Phys. C: Solid State Phys. , 7 : 481 – 495 .
   Web of Science ®Google Scholar
• Barrat , J.-L. and Chiaruttini , F. 2003 . Kapitza resistance at the liquid–solid interface . Mol. Phys. , 101 : 1605 – 1610 .
   Web of Science ®Google Scholar
• Schwab , K. , Henriksen , E.A. , Worlock , J.M. and Roukes , M.L. 2000 . Measurement of the quantum of thermal conductance . Nature , 404 : 974 – 977 .
   PubMed Web of Science ®Google Scholar
• Murad , S. and Puri , I.K. 2008 . Thermal transport across nanoscale solid–fluid interfaces . Appl. Phys. Lett. , 92 : 133105
   Web of Science ®Google Scholar
• Koplik , J. , Banavar , J.R. and Willemsen , J.F. 1989 . Molecular-dynamics of fluid-flow at solid-surfaces . Phys. Fluids A-Fluid Dyn. , 1 : 781 – 794 .
   Web of Science ®Google Scholar
• Murad , S. and Puri , I.K. 2007 . Dynamics of nanoscale jet formation and impingement on flat surfaces . Phys. Fluids , 19 : 128102
   Web of Science ®Google Scholar
• Xue , L. , Keblinski , P. , Phillpot , S.R. , Choi , S.U.S. and Eastman , J.A. 2003 . Two regimes of thermal resistance at a liquid–solid interface . J. Chem. Phys. , 118 : 337 – 339 .
   Web of Science ®Google Scholar
• Liu , Y.C. and Wang , Q. 2005 . Transport behavior of water confined in carbon nanotubes . Phys. Rev. B , 72 085420
   Web of Science ®Google Scholar
• Merabia , S. , Keblinski , P. , Joly , L. , Lewis , L.J. and Barrat , J.L. 2009 . Critical heat flux around strongly heated nanoparticles . Phys. Rev. E , 79 : 021404
   Web of Science ®Google Scholar
• Murad , S. and Lin , J. 1999 . Molecular modeling of fluid separations using membranes: Effect of molecular forces on mass transfer rates . Chem. Eng. J. , 74 : 99 – 108 .
   Web of Science ®Google Scholar
• Murad , S. and Lin , J. 2002 . Using thin zeolite membranes and external electric fields to separate supercritical aqueous electrolyte solutions . Ind. Eng. Chem. Res. , 41 : 1076 – 1083 .
   Web of Science ®Google Scholar
• Swainson , I.P. and Dove , M.T. 1995 . Molecular-dynamics simulation of alpha-cristobalite and beta-cristobalite . J. Phys. Condens. Matter , 7 : 1771 – 1788 .
   Web of Science ®Google Scholar
• Evans , D.J. and Murad , S. 1977 . Singularity free algorithm for molecular-dynamics simulation of rigid polyatomics . Mol. Phys. , 34 : 327 – 331 .
   Web of Science ®Google Scholar
• Allen , M.P. and Tildesley , D.J. 1987 . Computer Simulation of Liquids , Oxford : Clarendon Press .
   Google Scholar
• Murad , S. and Puri , I.K. 2007 . Nanoscale jet collision and mixing dynamics . Nano Lett. , 7 : 707 – 712 .
   PubMed Web of Science ®Google Scholar
• Chandrasekhar , J. , Smith , S.F. and Jorgensen , W.L. 1984 . SN2 reaction profiles in the gas-phase and aqueous-solution . J. Am. Chem. Soc. , 106 : 3049 – 3050 .
   Web of Science ®Google Scholar
• Stillinger , F.H. and Weber , T.A. 1985 . Computer-simulation of local order in condensed phases of silicon . Phys. Rev. B , 31 : 5262 – 5271 .
   PubMed Web of Science ®Google Scholar
• Tironi , I.G. , Sperb , R. , Smith , P.E. and Vangunsteren , W.F. 1995 . A generalized reaction field method for molecular-dynamics simulations . J. Chem. Phys. , 102 : 5451 – 5459 .
   Web of Science ®Google Scholar
• Berendson , H.J.C. , Postma , J. and van Gunsteren , W.F. 1981 . “ Interaction models for water in relation to protein hydration ” . In Intermolecular Forces , Edited by: Pullman , B. 331 – 338 . Dordecht : Reidel .
   Google Scholar
• Gargallo , R. , Hunenberger , P.H. , Aviles , F.X. and Oliva , B. 2003 . Molecular dynamics simulation of highly charged proteins: Comparison of the particle-particle particle-mesh and reaction field methods for the calculation of electrostatic interactions . Protein Sci. , 12 : 2161 – 2172 .
   PubMed Web of Science ®Google Scholar
• Watts , R.O. 1974 . Monte Carlo studies of liquid water . Mol. Phys. , 28 : 1069 – 1083 .
   Web of Science ®Google Scholar
• Cruz-Chu , E.R. , Aksimentiev , A. and Schulten , K. 2006 . Water-silica force field for simulating nanodevices . J. Phys. Chem. B , 110 : 21497 – 21508 .
   PubMed Web of Science ®Google Scholar
• Yu , J.G. , Phillpot , S.R. and Sinnott , S.B. 2007 . Interatomic potential for the structure and energetics of tetrahedrally coordinated silica polymorphs . Phys. Rev. B , 75 233203
   Web of Science ®Google Scholar
• IAPWS . 1998 . Revised Release on the IAPS Formulation 1985 for the Thermal Conductivity of Ordinary Water Substance , London : International Association for the Properties of Water and Steam .
   Google Scholar
• Saul , A. and Wagner , W. 1989 . A fundamental equation for water covering the range from the melting line to 1273-K at pressures up to 25000 MPA . J. Phys. Chem. Ref. Data , 18 : 1537 – 1564 .
   Web of Science ®Google Scholar
• Wagner , W. and Pruss , A. 2002 . The IAPWS formulation 1995 for the thermodynamic properties of ordinary water substance for general and scientific use . J. Phys. Chem. Ref. Data , 31 : 387 – 535 .
   Web of Science ®Google Scholar
• Murad , S. and Puri , I.K. 2008 . Molecular simulation of thermal transport across hydrophilic interfaces . Chem. Phys. Lett. , 467 ( 1–3 ) : 110 – 113 .
   Web of Science ®Google Scholar
• Balasubramanian , G. , Banerjee , S. and Puri , I.K. 2008 . Unsteady nanoscale thermal transport across a solid–fluid interface . J. Appl. Phys. , 104 064306
   Web of Science ®Google Scholar
• Shanks , H.R. , Maycock , P.D. , Sidles , P.H. and Danielson , G.C. 1963 . Phys. Rev. , 130 ( 5 ) : 1743 – 1748 .
   Web of Science ®Google Scholar
• Murad , S. and Puri , I.K. 2009 . Thermal transport through a fluid–solid interface . Chem. Phys. Lett. , 476 : 267 – 270 .
   Web of Science ®Google Scholar
• Murad , S. and Puri , I.K. 2009 . Thermal transport through superlattice solid-solid interfaces . Appl. Phys. Lett. , 95 : 051907
   Web of Science ®Google Scholar
• Balasubramanian , G. and Puri , I.K. 2011 . Heat conduction across a solid–solid interface: Understanding nanoscale interfacial effects on thermal resistance . Appl. Phys. Lett. , 99 : 013116
   Web of Science ®Google Scholar
• Cahill , D.G. , Ford , W.K. , Goodson , K.E. , Mahan , G.D. , Majumdar , A. , Maris , H.J. , Merlin , R. and Phillpot , S.R. 2003 . Nanoscale thermal transport . J. Appl. Phys. , 93 ( 2 ) : 793 – 818 .
   Web of Science ®Google Scholar
• Lee , S.M. , Cahill , D.G. and Venkatasubramanian , R. 1997 . Thermal conductivity of Si-Ge superlattices . Appl. Phys. Lett. , 70 ( 22 ) : 2957 – 2959 .
   Web of Science ®Google Scholar
• Borca-Tasciuc , T. , Liu , W.L. , Liu , J.L. , Zeng , T.F. , Song , D.W. , Moore , C.D. , Chen , G. , Wang , K.L. , Goorsky , M.S. , Radetic , T. , Gronsky , R. , Koga , T. and Dresselhaus , M.S. 2000 . Thermal conductivity of symmetrically strained Si/Ge superlattices . Superlattices Microstruct. , 28 ( 3 ) : 199 – 206 .
   Web of Science ®Google Scholar
• Nitzan , A. 2007 . Chemistry – molecules take the heat . Science , 317 : 759 – 760 .
   Web of Science ®Google Scholar
• Challis , L.J. , Dransfeld , K. and Wilks , J. 1961 . Heat transfer between solids and liquid Helium II . Proc. R. Soc. Lond. Ser. A, Math. Phys. Sci. , 260 : 31 – 46 .
   Web of Science ®Google Scholar