Silicon carbide (SiC) materials are widely applied in the field of nuclear materials and semiconductor materials due to their excellent radiation resistance, thermal conductivity, oxidation resistance, and mechanical strength. The molecular dynamics (MD) simulation is an important method to study the properties, preparation, and performance of SiC materials. It has significant advantages at the atomic scale. The common potential functions for MD simulations of silicon carbide materials were summarized firstly based on extensive literatures. The key parameters, complexity, and application scope were compared and analyzed. Then, the MD simulation of SiC properties, preparation, and performance was comprehensively overviewed. The current studies of MD simulation methods and applications of SiC materials were systematically summarized. It was found that the Tersoff potential was the most widely applied potential function for the MD simulation of SiC materials. The construction of more accurate potential functions for special application fields was an important development trend of potential functions. In the MD simulation of SiC properties, the thermal properties and mechanical properties, including thermal conductivity, hardness, elastic modulus, etc., were mainly studied. The correlation between MD simulations of microscopic processes and the properties of macroscopic materials, as well as the methods for obtaining different property parameters, were summarized. In the MD simulation of SiC preparation, ion implantation, polishing, sputtering, deposition, crystal growth, amorphization, etc., were mainly studied. The chemical vapor deposition (CVD) and sintering methods commonly applied in the preparation of SiC nuclear materials were reported rarely and needed to be further studied. In the MD simulation of SiC performance, most of the present studies were related to SiC applications in the nuclear energy research. The irradiation damage simulation in the field of nuclear materials was studied most widely. It can be found that SiC materials in the field of nuclear materials study were a very important topic. Finally, the future perspective of MD simulation studies of SiC materials were given, and development suggestions were summarized. This paper is helpful for understanding and mastering the general method of computation material science aimed at the multi-level analysis. It also has a good reference value in the field of SiC material study and MD method study.

Chemical vapor deposition (CVD) is a crucial technique in the preparation of high-quality thin films and coatings, and is widely used in various industries including semiconductor, optics, and nuclear fuel, due to its operation simplicity and high growth rate. The complexity of the CVD process arises from numerous parameters, such as precursor chemistry, temperature, pressure, gas flow dynamics, and substrate characteristics. These multiscale parameters make the optimization of the CVD process a challenging task. Numerical simulations are widely used to model and analyze the CVD complex systems, and can be divided into nanoscale, mesoscale, and macroscale methods. Numerical simulation is aimed at optimizing the CVD process, but the inter-scale parameters still need to be extracted in modeling processes. However, multiscale coupling modeling becomes a powerful method to solve these challenges by providing a comprehensive framework that integrates phenomena occurring at different scales. This review presents an overview of the CVD process, the common critical parameters, and an in-depth analysis of CVD models in different scales. Then various multiscale models are discussed. This review highlights the models in different scales, integrates these models into multiscale frameworks, discusses typical multiscale coupling CVD models applied in practice, and summarizes the parameters that can transfer information between different scales. Finally, the schemes of multiscale coupling are given as a prospective view. By offering a comprehensive view of the current state of multiscale CVD models, this review aims to bridge the gap between theory and practice, and provide insights that could lead to a more efficient and precise control of the CVD process.

Three−dimensional (3D) graphene with novel nano−architectures exhibits many excellent properties and is promising for energy storage and conversion applications. Herein, a new strategy based on the fluidized bed chemical vapor deposition (FB−CVD) process was proposed to prepare 3D graphene networks (3DGNs) with various nano−architectures. Specially designed SiC−C@graphene core/shell nanoparticles were prepared taking the advantages of the FB−CVD system, and 3DGNs with hierarchical nanostructures were obtained after removing the SiC core. The 3DGNs performed well as electrodes of lithium–sulfur batteries. The C–S cathode showed good rate performance at the current density of 0.1–2.0 C, and an initial discharge capacity of 790 mAhg⁻¹ cathode was achieved at a current density of 0.2 C. The Li−S batteries showed stabilized coulombic efficiency as high as 94% and excellent cyclic performance with an ultra low cyclic fading rate of 0.075% for the initial 280 cycles at a current density of 1.0 C. The improved electrochemical performance was ascribed to the enhanced conductivity by the connective graphene networks and the weakened shuttle effect by the special outer graphene layers. Mass production of the products was realized by the continuous FB−CVD process, which opens up new perspectives for large scale application of 3D graphene materials.

Two-dimensional materials have shown great potential for applications in many research areas because of their unique structures, and many 2D materials have been investigated since graphene was discovered. Ultra-thin SiC layers with thicknesses of 8–10 nm and multi-layer SiC films were designed and fabricated in this study. First, the multi-layer SiC films were obtained by the chemical vapor deposition (CVD) method with the addition of boron elements. We found that boron additives showed novel effects in the CVD process. Boron can promote the formation and crystallization of SiC films at low temperatures (1100 °C), resulting in the separation of SiC films into multi-layers with thicknesses of several nanometers. In addition, a formation mechanism for the 2D SiC layers is proposed. The boron mostly aggregated spontaneously between the thin SiC layers. Photoluminescence spectroscopy results showed that the SiC films with multi-layer structures had different bandgaps to normal SiC films. The present work proposes a potential method for fabricating 2D SiC materials with convenient experimental parameters and shows the potential of 2D SiC materials for use in electronics.

Fluidized bed-chemical vapor deposition (FB-CVD) technology stands as a cross-cutting achievement of fluidized bed technology in chemical engineering and chemical vapor deposition (CVD) in materials science, finding applications in particle coating, granulation, and material preparation. As compared to conventional CVD technology, FB-CVD distinguishes itself through enhanced heat/mass transfer efficiency, achieving a uniform coating layer while maintaining low production costs. Given the related research on FB-CVD micro-nano particle coating, the mechanism of particle fluidization and chemical vapor deposition, and the difficulty of micro-nano particle agglomeration were summarized. The process intensification of micro-nano particle fluidization assisted by particle design and external force field, such as vibration field, magnetic field, and sound field, and micro-nano particle chemical vapor deposition coating were summarized. In particular, applications of FB-CVD micro-nano particle coating are introduced. Finally, the opportunities and challenges faced by FB-CVD micro-nano particle coating technology are discussed, and the development prospect of this technology is prospected. This review is beneficial for the researchers of the fluidization field, and also the particle coating technology.