Thermal expansion, molar volume and specific heat of diamond from 0 to 3000k

Simple optimized Brenner potential for thermodynamic properties of diamond

“…Variation of the lattice constant with temperature predicted by LWT [31] with original and optimized Brenner potential, and the experimental data [43].…”

“…Variation of the CTE with temperature. The calculation results obtained from LWT [31] with original and optimized Brenner potential, the experimental data [43] and the calculation result by Jiang et al [13] with original Brenner potential.…”

Elastic and thermodynamic properties of potentially superhard carbon boride materials

“…The data taken from the following Refs. are indicated as: [43] a , [44] b , [45] c , [46] d , [47] e , [48] f .…”

Lattice Parameter of Polycrystalline Diamond in the Low-Temperature Range

“…The scatter is quite large (cf . Table II where experimental [1,14,16,18,17,20,[22][23][24][25][26] and theoretical [27][28][29] data are collected), illustrating the experimental and computational difficulties for this material. However, if the results for diamond powders (including the present result) and single crystals are distinguished, one easily observes that the TEC value at 300 K is by up to 30% higher for powders.…”

“…[14]. Detailed experimental investigations of a(T ) in the low temperature (LT) range have been performed using the Bond method for diamond single crystals [15,16].…”