[HTML][HTML] Molecular dynamics simulations of heat transport using machine-learned potentials: A mini-review and tutorial on GPUMD with neuroevolution potentials
Molecular dynamics (MD) simulations play an important role in understanding and
engineering heat transport properties of complex materials. An essential requirement for …
engineering heat transport properties of complex materials. An essential requirement for …
Lattice dynamics and heat transport in zeolitic imidazolate framework glasses
The glassy state of zeolitic imidazolate frameworks (ZIFs) has shown great potential for
energy-related applications, including solid electrolytes. However, their thermal conductivity …
energy-related applications, including solid electrolytes. However, their thermal conductivity …
[HTML][HTML] Vibrational dynamics dictate heat transport in metal-organic frameworks with gas adsorbates
Understanding the thermal conductivity (κ) of metal-organic frameworks (MOFs) with
adsorbates is critical for tailoring their heat dissipation in practical applications. However, a …
adsorbates is critical for tailoring their heat dissipation in practical applications. However, a …
Impact of adsorption on thermal conductivity dynamics of adsorbate and adsorbent: Molecular dynamics study of methane and Cu-BTC
Understanding changes in thermodynamic and transport properties during adsorption is
crucial for the thermal management of metal-organic frameworks, which also imposes …
crucial for the thermal management of metal-organic frameworks, which also imposes …
沸石咪唑酯骨架/正二十烷复合相变材料热导率的分子动力学模拟研究
谭子建， 吴腾， 乔亚军， 程瑞环， 李炜， 吴伟雄 - 化学学报 - sioc-journal.cn
摘要纳米复合相变材料具有高潜热与优异热化学稳定性, 在储热, 热管理等领域具有广阔应用
前景. 相变材料复合前后的热导率显著影响其实际应用性能. 本研究旨在分析正二十烷烃浸入各 …
前景. 相变材料复合前后的热导率显著影响其实际应用性能. 本研究旨在分析正二十烷烃浸入各 …
Molecular Dynamics Simulation Study on the Thermal Conductivity of Zeolitic Imidazolate Framework/n-Eicosane Composite Phase Change Materials
T Zijian, W Teng, Q Yajun, C Ruihuan, L Wei… - Acta Chimica Sinica - sioc-journal.cn
Nanocomposite phase change materials (PCM) exhibit high latent heat and excellent
thermal-chemical stability, rendering them promising candidates for a wide range of …
thermal-chemical stability, rendering them promising candidates for a wide range of …