Phonon– tag –
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MDPI Paper Develops Machine-Learned MTPs for Low-Cost, High-Accuracy Prediction of Heat Transport in AlGaN and Related Materials
MDPI Switzerland Overview A study published in MDPI reports the development of Machine-Learned Moment Tensor Potentials (MTPs) for simulating static and dynamic structural properties and heat transport in AlGaN and related materials. Tra... -
Unconstrained MLIPs Scaled to Large Datasets Outperform Constrained Models in Static Simulations for Accuracy and Speed
ResearchGate International Overview Unconstrained Machine Learning Interatomic Potentials (MLIPs), scaled to large datasets, have demonstrated superior performance in both accuracy and speed for static simulation workflows like geometric... -
PhononBench Unveils Large-Scale Benchmark for Evaluating Dynamic Stability of AI-Generated Crystal Structures
arXiv International Overview PhononBench, a large-scale phonon-based benchmark, has been released to evaluate the dynamic stability of crystal structures generated by AI models. This benchmark highlights the limitations of current crysta... -
Research Explores Microstructure and Phonon Thermal Conductivity Changes in Lamellar Dual-Phase High-Entropy Alloys Under Tensile Strain, Highlighting Industrial Potential
ResearchGate International Overview This research focuses on changes in microstructure and phonon thermal conductivity in lamellar dual-phase high-entropy alloys (HEAs) under tensile strain. It aims to understand the mechanical propertie... -
Dual-Ion Substitutions in SnS2 Induce Ultralow Thermal Conductivity through Lattice Softening and Anion Dimerization
ACS Publications USA Overview A first-principles study revealed that dual-ion substitutions in SnS2 lead to lattice softening and anion dimerization, resulting in ultralow thermal conductivity. This phenomenon primarily stems from increa... -
First-Principles Study Reveals Stacking-Dependent Thermoelectric Transport in Layered Sc2Si2Te6
arXiv Global Overview Layered semiconductors offer a promising platform to balance the Seebeck coefficient, electrical conductivity, and thermal conductivity—critical metrics for thermoelectric materials. This paper utilizes first-princi... -
Al and Ga Doping Elevates Thermoelectric Performance in Si-Rich Higher Manganese Silicide, Reaching ZT of 0.36 at 773K
ACS Publications (ACS Applied Energy Materials) USA Overview A new study reveals that Al and Ga doping significantly enhance thermoelectric properties in Si-rich higher manganese silicide (HMS) through carrier engineering. Ga and Al act ... -
MIT Pioneers Nanoporous Silicon for High-Efficiency Thermoelectric Conversion, Targeting ZT>3
MIT (Massachusetts Institute of Technology) USA Overview MIT researchers are exploring nanoporous silicon (nanoporous Si) as a high-efficiency thermoelectric material, crucial for eco-friendly technologies like waste heat recovery and so...
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