Heat-current filtering for Green–Kubo and Helfand-moment molecular dynamics predictions of thermal conductivity: Application to the organic crystal β-HMX
Andrey Pereverzev, Tommy Sewell
Topics & Concepts
Thermal conductivityMoment (physics)ThermodynamicsMolecular dynamicsHeat currentExponential functionMaterials scienceYield (engineering)Function (biology)Convergence (economics)PhysicsMathematicsMathematical analysisClassical mechanicsQuantum mechanicsEconomicsBiologyEvolutionary biologyEconomic growthThermal properties of materialsEnergetic Materials and CombustionGraphene research and applications