116
Views
73
CrossRef citations to date
0
Altmetric
Original Articles

Temperature-dependent interatomic forces

Pages 147-159 | Received 21 Sep 1988, Accepted 07 Nov 1988, Published online: 20 Aug 2006

Keep up to date with the latest research on this topic with citation updates for this article.

Read on this site (9)

Sang Kyu Kwak, Taezoon Park, Yong-Jin Yoon & Jong-Min Lee. (2012) Estimation of the free energy of hard-sphere crystals via a free-volume approach. Molecular Simulation 38:1, pages 16-22.
Read now
P.M. Derlet, S. Van Petegem & H. Van Swygenhoven. (2009) Vibrational properties of grain boundaries in nanocrystalline Ni using second moment potentials. Philosophical Magazine 89:34-36, pages 3511-3529.
Read now
P.C. Schuck, J. Marian, J.B. Adams & B. Sadigh. (2009) Vibrational properties of straight dislocations in bcc and fcc metals within the harmonic approximation. Philosophical Magazine 89:31, pages 2861-2882.
Read now
J. L. Bocquet. (2007) Contribution of shear strains to the vibrational entropy of defect configurations. Philosophical Magazine 87:22, pages 3259-3295.
Read now
Yuri Mishin, MadsR. S⊘rensen & ArthurF. Voter. (2001) Calculation of point-defect entropy in metals. Philosophical Magazine A 81:11, pages 2591-2612.
Read now
PAUL SMITH & R.M. LYNDEN-BELL. (1999) Determining surface free energies of crystals with highly disordered surfaces from simulation. Molecular Physics 96:7, pages 1027-1032.
Read now
J. M. Rickman & D. J. Srolovitz. (1993) A modified-local-harmonic model for solids. Philosophical Magazine A 67:5, pages 1081-1094.
Read now
U. Wolf, F. Ernst, T. Muschik, M.W. Finnis & H.F. Fischmeister. (1992) The influence of grain boundary inclination on the structure and energy of σ = 3 grain boundaries in copper. Philosophical Magazine A 66:6, pages 991-1016.
Read now
H. Rafii-Tabar & A.P. Sulton. (1991) Long-range Finnis-Sinclair potentials for f.c.c. metallic alloys. Philosophical Magazine Letters 63:4, pages 217-224.
Read now

Articles from other publishers (64)

Ali Radhi, Vincent Iacobellis & Kamran Behdinan. (2023) Parametric crystalline characterization of Anatase/Rutile polymorphic ceramic. Applied Physics A 129:4.
Crossref
Kunyen Liao, Kiyou Shibata & Teruyasu Mizoguchi. (2021) Nanoscale Investigation of Local Thermal Expansion at SrTiO 3 Grain Boundaries by Electron Energy Loss Spectroscopy . Nano Letters 21:24, pages 10416-10422.
Crossref
Ali Radhi, Vincent Iacobellis & Kamran Behdinan. (2021) Unraveling a thermodynamic ensemble at the quasicontinuum scale: Interplay of van der Waals forces without all the atoms. Journal of Physics and Chemistry of Solids 153, pages 110026.
Crossref
Vincent Iacobellis & Kamran Behdinan. 2021. Advanced Multifunctional Lightweight Aerostructures; Design, Development, and Implementation. Advanced Multifunctional Lightweight Aerostructures; Design, Development, and Implementation 43 66 .
Sergiy Divinski. 2017. Handbook of Solid State Diffusion, Volume 1. Handbook of Solid State Diffusion, Volume 1 449 517 .
M.M. Gong, F. Liu & Y.Z. Chen. (2016) Modeling solute segregation in grain boundaries of binary substitutional alloys: Effect of excess volume. Journal of Alloys and Compounds 682, pages 89-97.
Crossref
Vincent Iacobellis & Kamran Behdinan. (2015) Bridging cell multiscale modeling of fatigue crack growth in fcc crystals. International Journal for Numerical Methods in Engineering 104:13, pages 1200-1216.
Crossref
Thomas D SwinburneThomas D. Swinburne. 2015. Stochastic Dynamics of Crystal Defects. Stochastic Dynamics of Crystal Defects 77 88 .
T. D. Swinburne, S. L. Dudarev & A. P. Sutton. (2014) Classical Mobility of Highly Mobile Crystal Defects. Physical Review Letters 113:21.
Crossref
Vincent Iacobellis & Kamran Behdinan. (2012) Multiscale coupling using a finite element framework at finite temperature. International Journal for Numerical Methods in Engineering 92:7, pages 652-670.
Crossref
Guannan Li, Oleg Vinogradov & Artem Gubanov. (2012) A modified Morse potential accounting for non-zero temperature in molecular statics for Nickel crystals. Computational Materials Science 62, pages 126-130.
Crossref
P.M. Derlet, R. Maaß & J.F. Löffler. (2012) The Boson peak of model glass systems and its relation to atomic structure. The European Physical Journal B 85:5.
Crossref
Peter M. Derlet, Robert Maaß & Jörg F. Löffler. (2011) The Vibrational Modes of Model Bulk Metallic Glasses. MRS Proceedings 1224.
Crossref
Oleg Vinogradov. (2008) Using modified potential to account for non-zero temperature in molecular statics for crystals. Computational Materials Science 41:4, pages 493-497.
Crossref
C J Kimmer & R E Jones. (2007) Continuum constitutive models from analytical free energies. Journal of Physics: Condensed Matter 19:32, pages 326207.
Crossref
P. M. Derlet, D. Nguyen-Manh & S. L. Dudarev. (2007) Multiscale modeling of crowdion and vacancy defects in body-centered-cubic transition metals. Physical Review B 76:5.
Crossref
Michael W. Finnis & Manfred Rühle. 2006. Materials Science and Technology. Materials Science and Technology.
Ryan S. Elliott, John A. Shaw & Nicolas Triantafyllidis. (2006) Stability of crystalline solids—II: Application to temperature-induced martensitic phase transformations in a bi-atomic crystal. Journal of the Mechanics and Physics of Solids 54:1, pages 193-232.
Crossref
Koretaka Yuge, Atsuto Seko, Isao Tanaka & Shigeto R. Nishitani. (2005) First-principles study of the effect of lattice vibrations on Cu nucleation free energy in Fe-Cu alloys. Physical Review B 72:17.
Crossref
Yuri Mishin. 2005. Diffusion Processes in Advanced Technological Materials. Diffusion Processes in Advanced Technological Materials 113 171 .
Yuri Mishin. 2005. Diffusion Processes in Advanced Technological Materials. Diffusion Processes in Advanced Technological Materials 113 171 .
Georges Martin & Frédéric Soisson. 2005. Handbook of Materials Modeling. Handbook of Materials Modeling 2223 2248 .
Koretaka Yuge, Shigeto R. Nishitani & Isao Tanaka. (2004) Theoretical study of vibrational contribution on cluster formation in a binary alloy system. Calphad 28:2, pages 167-171.
Crossref
K. Masuda-Jindo & Vu Van Hang. (2004) Atomistic Study of Fracture of Crystalline Materials by Lattice Green's Function Method: Effects of Anharmonicity of Lattice Vibration. Journal of the Physical Society of Japan 73:5, pages 1205-1215.
Crossref
E. Rauls & Th. Frauenheim. (2004) Entropy of point defects calculated within periodic boundary conditions. Physical Review B 69:15.
Crossref
Mark T. Lusk & Paul D. Beale. (2004) Grain-boundary free energy in an assembly of elastic disks. Physical Review E 69:2.
Crossref
Z.-B. Wu, D. J. Diestler, R. Feng & X. C. Zeng. (2003) Coarse-graining description of solid systems at nonzero temperature. The Journal of Chemical Physics 119:15, pages 8013-8023.
Crossref
K. Masuda-Jindo, Vu Van Hung & Pham Dinh Tam. (2003) Thermodynamic quantities of metals investigated by an analytic statistical moment method. Physical Review B 67:9.
Crossref
K. Masuda-Jindo, V.V. Hung & S.R. Nishitani. (2003) Calculation of thermodynamic quantities of metals and alloys by statistical moment method. Intermetallics 11:11-12, pages 1259-1266.
Crossref
Paul D. Beale. (2002) Acoustic crystal thermodynamic integration method. Physical Review E 66:3.
Crossref
J. M. RickmanR. LeSar. (2002) Free-Energy Calculations in Materials Research. Annual Review of Materials Research 32:1, pages 195-217.
Crossref
A. van de Walle & G. Ceder. (2002) The effect of lattice vibrations on substitutional alloy thermodynamics. Reviews of Modern Physics 74:1, pages 11-45.
Crossref
S. Divinski & Chr. Herzig. (2000) On the six-jump cycle mechanism of self-diffusion in NiAl. Intermetallics 8:12, pages 1357-1368.
Crossref
Jérôme Creuze, Fabienne Berthier, Robert Tétot, Bernard Legrand & Guy Tréglia. (2000) Intergranular segregation and vibrational effects: A local analysis. Physical Review B 61:21, pages 14470-14480.
Crossref
A. S. Mosunov. (2000) Atom positions on the vicinal face of a fcc crystal. Physical Review B 61:4, pages 3022-3027.
Crossref
Peter Gumbsch. (1999) Atomistic modelling of diffusion-controlled interfacial decohesion. Materials Science and Engineering: A 260:1-2, pages 72-79.
Crossref
A. P. Sutton, A. Hairie, F. Hairie, B. Lebouvier, G. Nouet, E. Paumier & N. Ralantoson. (1997) Methods of minimizing free energies directly. Journal of Phase Equilibria 18:6, pages 544-545.
Crossref
R.E. Westacott & P.M. Rodger. (1996) Full-coordinate free-energy minimisation for complex molecular crystals: type I hydrates. Chemical Physics Letters 262:1-2, pages 47-51.
Crossref
V. Karagozian, M. Kuvakin & A. Mosunov. (1996) The approximation to free energy of the atoms of a monocrystal surface. Surface Science 356:1-3, pages L433-L438.
Crossref
G. D. Garbulsky & G. Ceder. (1996) Contribution of the vibrational free energy to phase stability in substitutional alloys: Methods and trends. Physical Review B 53:14, pages 8993-9001.
Crossref
A. P. Sutton. 1996. Computer Simulation in Materials Science. Computer Simulation in Materials Science 163 187 .
V. Vitek & M. Yan. 1996. Physical Metallurgy and processing of Intermetallic Compounds. Physical Metallurgy and processing of Intermetallic Compounds 28 55 .
Corbett C. Battaile, Reza Najafabadi & David J. Srolovitz. (2005) Simulation of Segregation to Free Surfaces in Cubic Oxides. Journal of the American Ceramic Society 78:12, pages 3195-3200.
Crossref
R. Najafabadi & D. J. Srolovitz. (1995) Evaluation of the accuracy of the free-energy-minimization method. Physical Review B 52:13, pages 9229-9241.
Crossref
Chrysanthe D. Terwllliger & Yet-Ming Chiang. (1995) Measurements of Excess Enthalpy in Ultrafine-Grained Titanium Dioxide. Journal of the American Ceramic Society 78:8, pages 2045-2055.
Crossref
Qian Xie & Nan-xian Chen. (1995) Recovery of an N -body potential from a universal cohesion equation . Physical Review B 51:22, pages 15856-15860.
Crossref
J. A. Nieminen. (1995) Temperature Dependence of Surface Reconstructions of Au on Pd(110). Physical Review Letters 74:19, pages 3856-3859.
Crossref
A J Skinner, J V Lilli & J Q Broughton. (1995) Free energy calculation of extended defects through simulated alchemy: application to Ni 3 Al antiphase boundaries . Modelling and Simulation in Materials Science and Engineering 3:3, pages 359-369.
Crossref
C. Battaile, R. NajafBdi & D. J Srolovitz. (2011) Atomistic Monte Carlo Simulations of Surface Segregation in (Fe x Mn 1-x )O and (Ni x Co 1-x )O . MRS Proceedings 408.
Crossref
A. M. Monti. (2006) Computer Simulation of Point Defects at Finite Temperatures. physica status solidi (b) 184:1, pages 81-91.
Crossref
Stephen M. Foiles. (1994) Evaluation of harmonic methods for calculating the free energy of defects in solids. Physical Review B 49:21, pages 14930-14938.
Crossref
R. E. WESTACOTT & P. M. RODGER. (1994) Direct Free Energy Calculations for Clathrate Hydrates. Annals of the New York Academy of Sciences 715:1 Natural Gas H, pages 537-539.
Crossref
C. Battaile, R. Najafabadi & D.J. Srolovitz. (2011) Simulation of Segregation to Interfaces in Metal-Oxides. MRS Proceedings 357.
Crossref
J. R. Fernández & A. M. Monti. (1993) Static and Dynamic Properties of Vacancies in H.C.P. Metals Many-Body versus Pair Potentials. physica status solidi (b) 179:2, pages 337-350.
Crossref
. (1997) Direct free energy minimization methods: application to grain boundaries. Philosophical Transactions of the Royal Society of London. Series A: Physical and Engineering Sciences 341:1661, pages 233-245.
Crossref
V. Paidar, J. Gemperlová, P. Lejček & V. Vitek. (1992) A report on current research on grain-boundary structure and chemistry. Materials Science and Engineering: A 154:2, pages 113-123.
Crossref
J M Rickman, R Najafabadi, L Zhao & D J Srolovitz. (1992) Finite-temperature properties of perfect crystals and defects from zero-temperature energy minimization. Journal of Physics: Condensed Matter 4:21, pages 4923-4934.
Crossref
L. R. Logan, C. S. Murthy & G. R. Srinivasan. (1992) Self‐consistent mean‐field analysis of classical many‐body systems at finite temperature. The Journal of Chemical Physics 96:6, pages 4574-4582.
Crossref
J. M. Rickman, R. Najafabadi & D. J. Srolovitz. (2011) Finite-Temperature Properties From a Single Zero-Temperature Energy Minimization. MRS Proceedings 278.
Crossref
V. V. Ogorodnikov & V. V. Pokropivny. (1991) EmpiricalN-Body Interatomic Potential for B.C.C. Transition Metals. physica status solidi (b) 166:1, pages 69-78.
Crossref
R. Najafabadi, D.J. Srolovitz & R. LeSar. (2011) Thermodynamic and structural properties of [001] twist boundaries in gold. Journal of Materials Research 6:5, pages 999-1011.
Crossref
R. Najafabadi, D. J. Srolovitz & R. LeSar. (2011) Finite temperature structure and thermodynamics of the Au Σ5 (001) twist boundary. Journal of Materials Research 5:11, pages 2663-2676.
Crossref
Janusz M. Holender. (1990) Molecular-dynamics studies of the thermal properties of the solid and liquid fcc metals Ag, Au, Cu, and Ni using many-body interactions. Physical Review B 41:12, pages 8054-8061.
Crossref
Hans J. Fecht. (2011) Thermodynamics of Nano-Grain Boundaries. MRS Proceedings 206.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.