Temperature effects on elastic constants and related properties of apatites

[1]  A. Amenaghawon,et al.  Hydroxyapatite-based adsorbents: Applications in sequestering heavy metals and dyes. , 2021, Journal of environmental management.

[2]  S. Campanari,et al.  Integration of solid oxide fuel cell (SOFC) and chemical looping combustion (CLC) for ultra-high efficiency power generation and CO2 production , 2018 .

[3]  V. Skripnyak,et al.  Predicting the mechanical properties of ultra-high temperature ceramics , 2017 .

[4]  Yingjie Zhu,et al.  Flexible, High‐Wettability and Fire‐Resistant Separators Based on Hydroxyapatite Nanowires for Advanced Lithium‐Ion Batteries , 2017, Advanced materials.

[5]  P. Brady,et al.  Radionuclide removal by apatite , 2016 .

[6]  Y. Duan,et al.  Electronic structure, elastic anisotropy, thermal conductivity and optical properties of calcium apatite Ca5(PO4)3X (X = F, Cl or Br) , 2015 .

[7]  E. Landi,et al.  Porous apatites as novel high temperature sorbents for carbon dioxide , 2014 .

[8]  E. Saiz,et al.  Synthesis and characterisation of large chlorapatite single-crystals with controlled morphology and surface roughness , 2012, Journal of Materials Science: Materials in Medicine.

[9]  H. Camacho-Montes,et al.  Computer simulation of elastic constants of hydroxyapatite and fluorapatite. , 2011, Journal of the mechanical behavior of biomedical materials.

[10]  Georg Kresse,et al.  Self-consistent meta-generalized gradient approximation within the projector-augmented-wave method , 2011 .

[11]  G. Kresse,et al.  Improved hybrid functional for solids: the HSEsol functional. , 2011, The Journal of chemical physics.

[12]  W. Ching,et al.  Ab initio elastic properties and tensile strength of crystalline hydroxyapatite. , 2009, Acta biomaterialia.

[13]  Stefano de Gironcoli,et al.  QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials , 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

[14]  J. Perdew,et al.  Assessing the performance of recent density functionals for bulk solids , 2009, 0903.4037.

[15]  P. Blaha,et al.  Calculation of the lattice constant of solids with semilocal functionals , 2009 .

[16]  G. Scuseria,et al.  Restoring the density-gradient expansion for exchange in solids and surfaces. , 2007, Physical review letters.

[17]  Peter Blaha,et al.  Performance on molecules, surfaces, and solids of the Wu-Cohen GGA exchange-correlation energy functional , 2007 .

[18]  P. Brown,et al.  Computer simulation of stoichiometric hydroxyapatite: Structure and substitutions , 2007 .

[19]  J. A. L. RABONE,et al.  Interatomic potential models for natural apatite crystals: Incorporating strontium and the lanthanides , 2006, J. Comput. Chem..

[20]  N. H. Leeuw,et al.  A computer modelling study of the uptake and segregation of fluoride ions at the hydrated hydroxyapatite (0001) surface: introducing a Ca10(PO4)6(OH)2 potential modelPresented at the 81st International Bunsen Discussion Meeting on , 2004 .

[21]  Jianmin Tao,et al.  Tests of a ladder of density functionals for bulk solids and surfaces , 2004 .

[22]  D. Adriano,et al.  Apatite and phillipsite as sequestering agents for metals and radionuclides. , 2003, Journal of environmental quality.

[23]  Stefan M. Kast,et al.  Potential energy function for apatites , 2003 .

[24]  J. Tanaka,et al.  Crystal growth and structure analysis of twin-free monoclinic hydroxyapatite , 2002, Journal of materials science. Materials in medicine.

[25]  E. Adolfsson,et al.  Triclinic oxy-hydroxyapatite , 2001 .

[26]  A. Boskey,et al.  A methodological study for the analysis of apatite-coated dental implants retrieved from humans. , 2000, Annals of periodontology.

[27]  J. Nørskov,et al.  Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals , 1999 .

[28]  Yingkai Zhang,et al.  Comment on “Generalized Gradient Approximation Made Simple” , 1998 .

[29]  Burke,et al.  Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.

[30]  Z. Li,et al.  SINGLE-CRYSTAL ELASTIC CONSTANTS OF FLUORAPATITE, CA5F (PO4)3 , 1994 .

[31]  D. G. Pettifor,et al.  Theoretical predictions of structure and related properties of intermetallics , 1992 .

[32]  M. Catti,et al.  Elastic constants and electronic structure of fluorite (CaF2): an ab initio Hartree-Fock study , 1991 .

[33]  D. Vanderbilt,et al.  Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. , 1990, Physical review. B, Condensed matter.

[34]  K. Crowley,et al.  Structural variations in natural F, OH, and Cl apatites , 1989 .

[35]  Hoover,et al.  Canonical dynamics: Equilibrium phase-space distributions. , 1985, Physical review. A, General physics.

[36]  J. Katz,et al.  Elastic properties of apatites , 1982 .

[37]  J. Katz,et al.  On the anisotropic elastic properties of hydroxyapatite. , 1971, Journal of biomechanics.

[38]  J. Currey,et al.  The relationship between the stiffness and the mineral content of bone. , 1969, Journal of biomechanics.

[39]  R. E. Newnham,et al.  Elastic properties of fluorapatite , 1969 .

[40]  William Bonfield,et al.  Anisotropy of Nonelastic Flow in Bone , 1967 .

[41]  S. Pugh.  XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals , 1954 .

[42]  R. Hill.  The Elastic Behaviour of a Crystalline Aggregate , 1952 .

[43]  J. Bhimasenachar.  Elastic constants of apatite , 1945 .

[44]  M. Khan,et al.  Application of Nanofertilizer and Nanopesticides for Improvements in Crop Production and Protection , 2017 .

[45]  N. D. de Leeuw,et al.  A computational investigation of stoichiometric and calcium-deficient oxy- and hydroxy-apatites. , 2007, Faraday discussions.

[46]  M. Fleet,et al.  Compositions of the Apatite-Group Minerals: Substitution Mechanisms and Controlling Factors , 2002 .

[47]  C. Klein,et al.  Bonding of bone to apatite-coated implants. , 1988, The Journal of bone and joint surgery. British volume.

[48]  A. Reuss,et al.  Berechnung der Fließgrenze von Mischkristallen auf Grund der Plastizitätsbedingung für Einkristalle . , 1929 .

[49]  W. Voigt.  Ueber die Beziehung zwischen den beiden Elasticitätsconstanten isotroper Körper , 1889 .