Abstract

Screw-dislocated graphites (SDGs) are investigated by machine-learning-potential-driven non-equilibrium molecular dynamics to reveal anomalous strain-dependent cross-plane thermal conductivity. The study finds that thermal conductivity increases under both tensile and compressive strain, with the enhancement attributed to strain-induced changes in dislocation interface tilt angle and heat-transfer pathways. An analytical model relating thermal conductivity to dislocation number and strain is also derived.

Abstract

Screw-dislocated graphites (SDGs) are investigated by machine-learning-potential-driven non-equilibrium molecular dynamics to reveal anomalous strain-dependent cross-plane thermal conductivity. The study finds that thermal conductivity increases under both tensile and compressive strain, with the enhancement attributed to strain-induced changes in dislocation interface tilt angle and heat-transfer pathways. An analytical model relating thermal conductivity to dislocation number and strain is also derived.

Abstract

Screw-dislocated graphites (SDGs) are investigated by machine-learning-potential-driven non-equilibrium molecular dynamics to reveal anomalous strain-dependent cross-plane thermal conductivity. The study finds that thermal conductivity increases under both tensile and compressive strain, with the enhancement attributed to strain-induced changes in dislocation interface tilt angle and heat-transfer pathways. An analytical model relating thermal conductivity to dislocation number and strain is also derived.

Abstract

Screw-dislocated graphites (SDGs) are investigated by machine-learning-potential-driven non-equilibrium molecular dynamics to reveal anomalous strain-dependent cross-plane thermal conductivity. The study finds that thermal conductivity increases under both tensile and compressive strain, with the enhancement attributed to strain-induced changes in dislocation interface tilt angle and heat-transfer pathways. An analytical model relating thermal conductivity to dislocation number and strain is also derived.