A computational study of the temperature dependence of interface and surface energies in WC–Co cemented carbides

[1]  Martin Gren,et al.  Wetting of surfaces and grain boundaries in cemented carbides and the effect from local chemistry , 2019 .

[2]  M. Asta,et al.  Step free energies at faceted solid surfaces: Theory and atomistic calculations for steps on the Cu(111) surface , 2017, 1701.07413.

[3]  M. Lísal,et al.  Free-energy calculations using classical molecular simulation: application to the determination of the melting point and chemical potential of a flexible RDX model. , 2016, Physical chemistry chemical physics : PCCP.

[4]  M. Asta,et al.  Nonequilibrium free-energy calculation of solids using LAMMPS , 2016, 2201.04622.

[5]  G. Wahnström,et al.  First-principles derived complexion diagrams for phase boundaries in doped cemented carbides , 2016, 1601.01588.

[6]  A. Kavner,et al.  A new high pressure and temperature equation of state of fcc cobalt , 2015 .

[7]  B. Johansson,et al.  Thermal surface free energy and stress of iron , 2015, Scientific Reports.

[8]  I. Tanaka,et al.  First principles phonon calculations in materials science , 2015, 1506.08498.

[9]  G. Wahnström,et al.  A computational study of interfaces in WC–Co cemented carbides , 2015 .

[10]  Martin Gren,et al.  Molecular dynamics simulation of WC/WC grain boundary sliding resistance in WC–Co cemented carbides at high temperature , 2015 .

[11]  Z. Fang,et al.  Cemented Tungsten Carbide Hardmetal-An Introduction , 2014 .

[12]  A. Senos,et al.  Cemented carbide phase diagrams: A review , 2011 .

[13]  R. Ramprasad,et al.  The equilibrium morphology of WC particles – A combined ab initio and experimental study , 2011 .

[14]  I. Egry,et al.  Surface tension of liquid metals and alloys--recent developments. , 2010, Advances in colloid and interface science.

[15]  Y. Mishin,et al.  Temperature dependence of the surface free energy and surface stress: An atomistic calculation for Cu(110) , 2009 .

[16]  Kai Nordlund,et al.  Analytical interatomic potential for modeling nonequilibrium processes in the W–C–H system , 2005 .

[17]  S. Lay,et al.  Quantitative analysis of WC grain shape in sintered WC-Co cemented carbides. , 2005, Physical review letters.

[18]  G. Wahnström,et al.  Effects of cobalt intergranular segregation on interface energetics in WC-Co , 2004 .

[19]  L. Höglund,et al.  Thermo-Calc & DICTRA, computational tools for materials science , 2002 .

[20]  H. Andren,et al.  Microstructures of cemented carbides , 2001 .

[21]  M. Finnis,et al.  The theory of metal - ceramic interfaces , 1996 .

[22]  F. Flores,et al.  Interfaces in crystalline materials , 1994, Thin Film Physics and Applications.

[23]  D. Brenner,et al.  Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films. , 1990, Physical review. B, Condensed matter.

[24]  George H. Gilmer,et al.  Molecular dynamics investigation of the crystal–fluid interface. VI. Excess surface free energies of crystal–liquid systems , 1986 .

[25]  Daan Frenkel,et al.  New Monte Carlo method to compute the free energy of arbitrary solids. Application to the fcc and hcp phases of hard spheres , 1984 .

[26]  D. J. Tildesley,et al.  The pressure tensor at the planar surface of a liquid , 1983 .

[27]  L. Ramqvist.  WETTING OF METALLIC CARBIDES BY LIQUID COPPER, NICKEL, COBALT AND IRON , 1965 .

[28]  R Shuttleworth,et al.  The Surface Tension of Solids , 1950 .

[29]  J. Gibbs,et al.  The collected works of J. Willard Gibbs , 1948 .

[30]  D. Sidorenko,et al.  Wettability of tungsten carbide by liquid binders in WC–Co cemented carbides: Is it complete for all carbon contents? , 2017 .

[31]  Martin Petisme.  Atomistic modeling of interfaces in WC-Co cemented carbides , 2015 .

[32]  Andreas Blomqvist,et al.  Trends in the P/M hard metal industry , 2015 .

[33]  Leo Prakash,et al.  Fundamentals and General Applications of Hardmetals , 2014 .

[34]  de Koning M,et al.  Einstein crystal as a reference system in free energy estimation using adiabatic switching. , 1996, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.

[35]  H. E. Exner,et al.  Physical and chemical nature of cemented carbides , 1979 .

[36]  Y. Tyan,et al.  On the elastic and thermodynamic properties of transition metal carbides , 1971 .