相关论文: Hyperparameter Optimization and Force Error Correc…
Inferring transient molecular structural dynamics from diffraction data is an ambiguous task that often requires different approximation methods. In this paper we present an attempt to tackle this problem using machine learning. While most…
Impurity levels and formation energies of acceptors in wurtzite GaN are predicted ab initio. Be_Ga is found to be the shallow (thermal ionization energy $\sim$ 0.06 eV); $Mg_{Ga}$ and $Zn_{Ga}$ are mid-deep acceptors (0.23 eV and 0.33 eV…
Efficient and precise calculations of thermal transport properties and figure of merit, alongside a deep comprehension of thermal transport mechanisms, are essential for the practical utilization of advanced thermoelectric materials. In…
To develop efficient thermal management strategies for wide bandgap (WBG) semiconductor devices, it is essential to have a clear understanding of the heat transport process within the device and accurately predict the junction temperature.…
Amorphous silicon (a-Si) is an important thermal-management material and also serves as an ideal playground for studying heat transport in strongly disordered materials. Theoretical prediction of the thermal conductivity of a-Si in a wide…
The present work is concerned with studying accurately the energy-loss processes that control the thermalization of hot electrons and holes that are generated by high-energy radiation in wurtzite GaN, using an ab initio approach. Current…
A number of diverse bulk properties of the zincblende and wurtzite III-V nitrides AlN, GaN, and InN, are predicted from first principles within density functional theory using the plane-wave ultrasoft pseudopotential method, within both the…
This paper introduces a robust Pareto design approach for transistor sizing of Gallium Nitride (GaN) High Electron Mobility Transistors (HEMTs), particularly for power amplifier (PA) and low-noise amplifier (LNA) designs in 5G applications.…
Fully parallel neural network accelerators on field-programmable gate arrays (FPGAs) offer high throughput for latency-critical applications but face hardware resource constraints. Weightless neural networks (WNNs) efficiently replace…
The semiconducting behaviour and optoelectronic response of gallium nitride is governed by point defect processes, which, despite many years of research, remain poorly understood. The key difficulty in the description of the dominant…
Thermal properties have an outsized impact on efficiency and sensitivity of devices with nanoscale structures, such as in integrated electronic circuits. A number of thermal conductivity measurements for semiconductor nanostructures exist,…
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 different temperatures are used to generate a nonequilibrium…
Thermal conductivity is a fundamental material property that plays an essential role in technology, but its accurate evaluation presents a challenge for theory. In this work, we demonstrate the application of $E(3)$-equivariant neutral…
The mechanical and thermal performance of high-entropy ceramics are critical to their use in extreme conditions. However, the vast composition space of high-entropy ceramic significantly hinders their development with desired mechanical and…
Traditionally, 1D models based on scaling laws have been used to parameterized convective heat transfer rocks in the interior of terrestrial planets like Earth, Mars, Mercury and Venus to tackle the computational bottleneck of high-fidelity…
Adding thermal conductivity enhancements to increase thermal power in solid-liquid phase-change thermal energy storage modules compromises volumetric energy density and often times reduces the mass and volume of active phase change material…
Using non-equilibrium molecular dynamics (NEMD) simulation, we study thermal properties of the so-called nanoporous graphene (NPG) sheet which contains a series of nanoporous in an ordered way and was synthesized recently (Science 360…
We present the simultaneous optical and thermal analysis of a freestanding photonic semiconductor membrane made from wurtzite III-nitride material. By linking micro-photoluminescence ($\mu$PL) spectroscopy with Raman thermometry, we…
We have used molecular dynamics to calculate the thermal conductivity of symmetric and asymmetric graphene nanoribbons (GNRs) of several nanometers in size (up to ~4 nm wide and ~10 nm long). For symmetric nanoribbons, the calculated…
Despite considerable advancements, high electron mobility transistors (HEMTs) based on gallium nitride (GaN) channels remain largely limited to power applications below 650 V. For higher power demands, the ultra-wide bandgap semiconductor…