Unexpected low thermal expansion coefficients of pentadiamond
Mingqing Liao1,2,3, Yi Wang2, Fengjiang Wang1
1School of Materials Science and Engineering, Jiangsu University of Science and Technology, Zhenjiang 212003, China. mingqing_liao@just.edu.cn.
Abstract:
A new carbon allotrope, pentadiamond, was recently reported in the literature. Herein, we investigate its thermal expansion and thermoelastic properties by first principles. It is observed that the bulk modulus and hardness of pentadiamond are far less than those of diamond, but the thermal expansion of pentadiamond is lower than that of diamond in the range of 0 K to 2000 K, and even negative in the temperature range of 0-190 K. The negative thermal expansion at low temperature originates from the transverse vibrations of the edge-shared atoms in the coplanar double-pentagon. The low thermal expansion at high temperature is contributed by the strong bonds in pentadiamond. Benefiting from the low thermal expansion, the elastic constants of pentadiamond decrease very slowly with respect to temperature compared with those of diamond. The low sensitivity of thermodynamic and thermoelastic properties to temperature makes pentadiamond a promising material for high anti-thermal-shock and accurate electronic device applications.
Related Concept Videos
Thermal expansion and Thermal stress: Problem Solving
To solve the problem, first, identify the known and unknown quantities. The initial length (L) of the bridge is 1275 m, the coefficient of linear expansion (α) for steel is 12 x 10-6/°C, and the change in...
Thermal Strain
Thermal Expansion
Network Covalent Solids
To break or to melt a covalent network solid, covalent bonds must be broken. Because covalent bonds are relatively strong, covalent network solids are typically...
Relation between Poisson's ratio, Modulus of Elasticity and Modulus of Rigidity
Expansion and Contraction in Masonry Walls
To...


