259 citations · 985 across the 19 of their papers we have counts for
19 papers
Optimized phonon band discretization scheme for efficiently solving the non-gray Boltzmann transport equation
Yue Hu, Yongxing Shen, Hua Bao
Phonon Boltzmann transport equation (BTE) is an important tool for studying the nanoscale thermal transport. Because phonons have a large spread in their properties, the non-gray (…
The Energy Efficiency of Interfacial Solar Desalination: Insights from Detailed Theoretical Analysis
Xiao Luo, Jincheng Shi, Changying Zhao +3
Solar-thermal evaporation, a traditional steam generation method for solar desalination, has received numerous attentions in recent years due to the significant increase in efficie…
Atomistic metrics of BaSO as an ultra-efficient radiative cooling material: a first-principles prediction
Zhen Tong, Joseph Peoples, Xiangyu Li +3
Radiative cooling has recently revived due to its significant potential as an environmentally friendly cooling technology. However, the design of particle-matrix cooling nanocompos…
First-principles based analysis of thermal transport in metallic nanostructures: size effect and Wiedemann-Franz law
Yue Hu, Shouhang Li, Hua Bao
Metallic nanostructures (the nanofilms and nanowires) are widely used in electronic devices, and their thermal transport properties are crucial for heat dissipation. However, there…
Anomalous thermal transport in metallic transition-metal nitrides originated from strong electron-phonon interactions
Shouhang Li, Ao Wang, Yue Hu +3
Metallic transition-metal nitrides (TMNs) are promising conductive ceramics for many applications, whose thermal transport is of great importance in device design. It is found meta…
Thermal conductivity and Lorenz ratio of metals at intermediate temperature: a first-principles analysis
Shouhang Li, Zhen Tong, Xinyu Zhang +1
Electronic and phononic thermal conductivity are involved in the thermal conduction for metals and Wiedemann-Franz law is usually employed to predict them separately. However, Wied…
Seeking for low thermal conductivity atomic configurations in alloys with Bayesian Optimization
Jiahao Yan, Han Wei, Han Xie +2
The emergence of data-driven science has opened up new avenues for understanding the thermophysical properties of materials. For decades, alloys are known to possess very low therm…
Thermal conductivity of intrinsic semiconductor at elevated temperature: role of four-phonon scattering and electronic heat conduction
Xiaokun Gu, Shouhang Li, Hua Bao
While using first-principles-based Boltzmann transport equation approach to predict the thermal conductivity of crystalline semiconductor materials has been a routine, the validity…
A Unified Phonon Interpretation for the Non-Fourier Heat Conduction by Non-equilibrium Molecular Dynamics Simulations
Yue Hu, Xiaokun Gu, Tianli Feng +2
Nanoconfinement induces many intriguing non-Fourier heat conduction phenomena that have been extensively studied in recent years, such as the nonlinear temperature profile inside t…
A comprehensive first-principles analysis of phonon thermal conductivity and electron-phonon coupling in different metals
Zhen Tong, Shouhang Li, Xiulin Ruan +1
Separating electron and phonon thermal conductivity components is imperative for understanding the principle thermal transport mechanisms in metals and highly desirable in many app…
Influence of Boundaries and Thermostatting on Nonequilibrium Molecular Dynamics Simulations of Heat Conduction in Solids
Zhen Li, Shiyun Xiong, Charles Sievers +7
Nonequilibrium molecular dynamics (NEMD) has been extensively used to study thermal transport at various length scales in many materials. In this method, two local thermostats at d…
A revisit to phonon-phonon scattering in single-layer graphene
Xiaokun Gu, Zheyong Fan, Hua Bao +1
Understanding the mechanisms of thermal conduction in graphene is a long-lasting research topic, due to its high thermal conductivity. Peierls-Boltzmann transport equation (PBTE) b…
The lattice and electronic thermal conductivity of doped SnSe: a first-principles study
Shouhang Li, Zhen Tong, Hua Bao
Recently, it has been found that crystalline tin selenide (SnSe) holds great potential as a thermoelectric material due to its ultralow thermal conductivity and moderate electronic…
A relaxation time model for efficient and accurate prediction of lattice thermal conductivity
Han Xie, Xiaokun Gu, Hua Bao
Prediction of lattice thermal conductivity is important to many applications and technologies, especially for high-throughput materials screening. However, the state-of-the-art met…
High thermal conductivity of bulk epoxy resin by bottom-up parallel-linking and strain: a molecular dynamics study
Shouhang Li, Xiaoxiang Yu, Hua Bao +1
The ultra-low thermal conductivity (~0.3 Wm-1K-1) of amorphous epoxy resins significantly limits their applications in electronics. Conventional top-down methods e.g. electrospinni…
Effect of the accuracy of interatomic force constants on the prediction of lattice thermal conductivity
Han Xie, Xiaokun Gu, Hua Bao
Solving Peierls-Boltzmann transport equation with interatomic force constants (IFCs) from first-principles calculations has been a widely used method for predicting lattice thermal…
Probing the phonon surface interaction by wave packet simulation: effect of roughness and morphology
Cheng Shao, Qingyuan Rong, Ming Hu +1
One way to reduce the lattice thermal conductivity of solids is to induce additional phonon surface scattering through nanostructures. However, how phonons interact with boundaries…
Unexpectedly Large Tunability of Lattice Thermal Conductivity of Monolayer Silicene via Mechanical Strain
Han Xie, Tao Ouyang, Éric Germaneau +3
Strain engineering is one of the most promising and effective routes toward continuously tuning the electronic and optic properties of materials, while thermal properties are gener…
Light Trapping in Thin Film Disordered Nanohole Patterns: Effects of Oblique Incidence and Intrinsic Absorption
Minhan Lou, Hua Bao, Changying Zhao
Finite-difference time-domain method is employed to investigate the optical properties of semiconductor thin films patterned with circular holes. The presence of holes enhances the…