Article
Chemistry, Multidisciplinary
Andrey Sarikov, Anna Marzegalli, Luca Barbisan, Massimo Zimbone, Corrado Bongiorno, Marco Mauceri, Danilo Crippa, Francesco La Via, Leo Miglio
Summary: The annihilation mechanism of stacking faults (SFs) in epitaxial 3C-SiC layers grown on Si(001) substrates was studied using molecular dynamics simulations. Two SF annihilation scenarios were revealed under slightly compressive strain conditions, showing how the interaction of partial dislocations affects the evolution of SFs. These results provide insights into the reduction of SF concentrations in epitaxial 3C-SC layers on Si substrates.
Article
Nanoscience & Nanotechnology
Byeongyun Jeong, Yidi Shen, Xiaodong Wang, Qi An, Kolan Madhav Reddy
Summary: In this study, the amorphization process induced by high stress in cubic silicon carbide (n-SiC) was investigated using transmission electron microscopy (TEM) and molecular dynamics (MD) simulations. Experimental observations showed that shear along the (111) crystallographic plane caused the initiation of amorphization, and increased stress led to localized strains within the amorphous band. MD simulations confirmed that the presence of stacking faults reduced the shear stress and strain required for amorphization compared to pristine n-SiC, consistent with experimental findings. This study highlights the importance of understanding the amorphization process in superhard materials for stress alleviation in high-stress environments.
SCRIPTA MATERIALIA
(2023)
Article
Materials Science, Multidisciplinary
Kenji Nishimura, Ken-ichi Saitoh
Summary: Nanoindentation simulations were conducted on single-crystalline cubic silicon carbide to investigate the temperature dependence of mechanical characteristics and lattice defect formation mechanisms. The results showed weak temperature dependence of elastic responses but strong temperature dependence of plastic deformation. The critical mean contact pressure for plasticity onset decreased with increasing temperature. At low temperatures, plastic deformation started with the nucleation and expansion of perfect dislocations, while at high temperatures, the dislocations dissociated into Shockley partial dislocations with stacking faults. Different atomic patterns were observed on the surfaces after unloading at different temperatures, and the ductile behavior was more influenced by temperature on the (1 1 1) surface than on the (001) surface.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Chao Xu, Futi Liu, Chunmei Liu, Pei Wang, Huaping Liu
Summary: Through molecular dynamics simulations, the plastic deformation of ZnSe nano films on different crystal planes was studied, revealing anisotropic behaviors. The results showed that plastic deformations were dominated by the nucleation and propagation of dislocations, and the emitted prismatic loops were closely related to mechanical properties.
Article
Biochemistry & Molecular Biology
Miroslav Krepl, Tom Dendooven, Ben F. Luisi, Jiri Sponer
Summary: Hfq is a conserved protein involved in RNA-mediated gene expression control in bacteria. Molecular dynamics simulations revealed the extensive dynamics of the Hfq-RNA interface, providing insights into the assembly of the translation-repression complex. Dynamic substrate recognition by Hfq-RNA binding offers a structural rationale for the stepwise assembly of multicomponent ribonucleoprotein complexes.
JOURNAL OF BIOLOGICAL CHEMISTRY
(2021)
Article
Materials Science, Multidisciplinary
Shasha Huang, Haohua Wen, Qing Guo, Biao Wang, Kan Lai
Summary: In this study, irradiation-induced vacancy evolution in face-centered cubic (FCC) Ni under mechanical strains was investigated using molecular dynamics simulations. It was found that the applied strain led to different stable forms of vacancy clusters, with the entropy contribution playing an important role in the thermodynamic stability of these clusters. The results provide insights into the dynamic evolution and thermodynamic stability of vacancy clusters in FCC Ni.
JOURNAL OF NUCLEAR MATERIALS
(2021)
Review
Environmental Sciences
M. Gokhan Gunay, Ubade Kemerli, Ceren Karaman, Onur Karaman, Afsin Gungor, Hassan Karimi-Maleh
Summary: It is crucial to develop energy-efficient and faster methods for water treatment and desalination due to the increasing water demand and the drying out or contamination of water sources. This study reviews nano-porous structures with functional groups for desalination and water treatment and finds that a well-designed membrane should have small pore size to reject contaminants while allowing high water permeation. The addition of functional groups to membranes affects permeability and rejection rate, with hydrophilic groups increasing permeability and hydrophobic ones decreasing it.
ENVIRONMENTAL RESEARCH
(2023)
Article
Engineering, Manufacturing
Weilong Wu, Yang Hu, Xiaosong Meng, Jianbo Dai, Houfu Dai
Summary: This study investigates the effects of ion implantation on the mechanical properties and defect evolution of single-crystal 3C-SiC. The results show that ion implantation reduces the hardness and elastic modulus and improves plasticity, while suppressing the nucleation of dislocations. The optimal implantation dose and energy can be determined by comparing the characteristics. Additionally, different implantation angles result in a channel effect. Ion implantation alters the direction and magnitude of normal stress, making it favorable for enhancing the plasticity of brittle single-crystal SiC through material advanced manufacturing processes.
JOURNAL OF MANUFACTURING PROCESSES
(2022)
Article
Chemistry, Multidisciplinary
Xiaoli Wang, Guang Cheng, Yang Zhang, Yuxin Wang, Wenjun Liao, T. A. Venkatesh
Summary: Molecular dynamics simulations were used to investigate the diffusion process and microstructural evolution at the solid-liquid Al-Cu interfaces. The K-Means clustering algorithm was employed to identify and analyze the formation and composition of nanostructural features in different regions of the interface. The effects of annealing temperature on the microstructural evolution and mechanical strength of the interfaces were also investigated, and the failure location of the interface was confirmed through nanoindentation studies.
Article
Materials Science, Multidisciplinary
Qi Zhu, Jian-Li Shao, Hao Pan, Pei Wang
Summary: This study investigates the collapse of stacking fault tetrahedron (SFT) and subsequent dislocation evolution in single crystal copper under shock compression using molecular dynamics simulations. The results show the collapse pattern and shock orientation dependence of SFT, as well as the relationship between shock intensity and dislocation density. Increasing shock intensity leads to a more rapid increase in dislocation density and structural transformation of SFT. Additionally, higher initial temperatures result in a decrease in critical stress for plastic deformation and thermal fluctuation impacts the decomposition of stacking faults.
JOURNAL OF NUCLEAR MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Yuan-Ting Lin, Shih-Chieh Hsiao, I-Ling Chang, Jui-Chao Kuo
Summary: In this study, the competition mechanisms between dislocation slip and twinning in silver with a low stacking fault energy were investigated using molecular dynamics simulation. Three crystallographic surface orientations were considered and compared. The yield stress and the occurrence of dislocation slip and twinning were analyzed. The results indicate that simultaneous dislocation slip and twinning occur in silver.
ADVANCED ENGINEERING MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Yipeng Li, Yeping Lin, Dewang Cui, Huiqiu Deng, Guang Ran
Summary: Stacking-fault tetrahedron (SFT) is a three-dimensional vacancy defect that can seriously degrade the mechanical properties of quenched, deformed or irradiated face-centered cubic (FCC) metals. It is generally believed that high stacking fault energy (SFE) is unfavorable for the formation of SFTs. However, this study reveals a new mechanism for the formation of SFTs in Pd with extremely high SFE, where vacancy clusters rearrange directionally to form SFTs due to the ambient stress deviations and compressive stress fields induced by interstitial Frank loops. Continuous hydrogen implantation promotes the growth of the complex, while thermal effects can cause it to disappear.
Article
Mechanics
Zhifu Zhao, Babak Safaei, Yanfei Wang, Yanwei Liu, Fulei Chu, Yueguang Wei
Summary: This study investigates the atomistic scale behaviors of intergranular crack propagation along twist grain boundary in body-centered cubic iron under dynamic tensile stress. The critical stresses for stacking fault nucleation and intergranular crack cleavage vary with driving force and contact ratio. However, the effects of these factors on the growths of crack length and plastic zone are not obvious in the early stage of intergranular crack propagation.
ENGINEERING FRACTURE MECHANICS
(2022)
Article
Materials Science, Multidisciplinary
Jiankang Huang, Yulong Liu, Xiaoquan Yu, Yanqing Huang, Guangyin Liu, Zhongli Huang, Ding Fan
Summary: The molecular dynamics simulation was used to analyze nanoindentation of FCC single crystal copper with different crystal orientations under Berkovich indenter. Crystal orientation significantly influences load distribution, defect formation, slip processes, and dislocation density. Different orientations exhibit variations in hardness and dislocation morphology during indentation.
COMPUTATIONAL MATERIALS SCIENCE
(2021)
Article
Nanoscience & Nanotechnology
Chenghao Chen, Min Lai, Fengzhou Fang
Summary: This paper investigates the surface and subsurface deformation mechanism of gallium arsenide during nano-cutting through molecular dynamics simulations, finding the existence of an intermediate phase with a coordination number of five during the cutting process. Different cutting speeds and orientations models are established to study their effects on dislocations, crystal anisotropy on the dislocation type and density, and the analysis of subsurface stress.
NANOSCALE RESEARCH LETTERS
(2021)
Article
Engineering, Electrical & Electronic
Nishi Mehak, Bindu Rani, Aadil Fayaz Wani, Shakeel Ahmad Khandy, Ajay Singh Verma, Atif Mossad Ali, M. A. Sayed, Shobhna Dhiman, Kulwinder Kaur
Summary: In this study, the electronic, structural, and thermoelectric properties of newly designed layered rare-earth metal germanide halides were investigated. The materials showed promising thermoelectric performance, making them suitable candidates for energy harvesting in thermoelectric applications.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Devidas I. Halge, Vijaykiran N. Narwade, Nabeel M. S. Kaawash, Pooja M. Khanzode, Sohel J. Shaikh, Jagdish W. Dadge, Prashant S. Alegaonkar, Rajeshkumar S. Hyam, Kashinath A. Bogle
Summary: This study presents the design and fabrication of a high-performance blue light photodetector using an n-type cadmium sulfide (CdS) thin film and a p-type polyaniline (PANI). The photodetector demonstrates exceptional performance characteristics, including high responsivity, detectivity, and sensitivity, along with rapid response time and rectification behavior. The research represents a significant advancement in the field of high-performance photodetectors.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Da Hu, Jiabin Lu, Qiusheng Yan, Yingrong Luo, Ziyuan Luo
Summary: This study introduces a chemical mechanical polishing technique based on metal electrochemical corrosion for single-crystal SiC to address the environmental pollution caused by the polishing solution in chemical mechanical polishing. Wear experiments were conducted to investigate the wear properties of SiC C-surface under different grinding ball materials and solutions. The proposed mechanism of material removal in single-crystal SiC via metal electrochemical corrosion was discussed.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Lifang Mei, Long Lin, Dongbing Yan, Yu Liang, Yu Wu, Shuixuan Chen
Summary: This paper investigates the removal of CuO particles from silicon wafer surfaces using a picosecond laser. Numerical calculations and experimental research were conducted, and a thermal-stress coupled finite element model was established. The results show that as the laser energy density increases, the removal rate of CuO particles initially increases and then decreases, while the roughness of the silicon substrate decreases and then increases.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Michihiro Yamada, Shuhei Kusumoto, Atsuya Yamada, Kentarou Sawano, Kohei Hamaya
Summary: In this study, we demonstrated the low-temperature growth of a Ge layer on a Co-based Heusler alloy via Sn doping, which improved the magnetic properties and spin signal.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Xiang-Long Wei, Bao-Feng Shan, Zong-Yan Zhao
Summary: This study synthesized and characterized a CuAlO2/CuGaO2 heterostructure and evaluated its photocatalytic performance. The heterostructure exhibited superior performance compared to individual CuAlO2 and CuGaO2 photocatalysts, with increased carrier concentration, enhanced redox capabilities, superior electrochemical stability, and reduced interfacial resistance. Photocatalytic experiments demonstrated the remarkable oxidation potential and notable reduction activity of the heterostructure, outperforming CuAlO2 and CuGaO2 in degradation rates and hydrogen production rates, respectively. These findings highlight the superior performance and broad applicability of the CuAlO2/CuGaO2 heterostructure in various photocatalytic reactions.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Micka Bah, Daniel Alquier, Marie Lesecq, Nicolas Defrance, Damien Valente, Thi Huong Ngo, Eric Frayssinet, Marc Portail, Jean-Claude De Jaeger, Yvon Cordier
Summary: This study investigates the AlN nucleation layer issue in GaN high frequency telecommunication and power switching systems fabricated after heteroepitaxy on Silicon or Silicon Carbide. It is shown that using 3C-SiC as an intermediate layer can significantly decrease RF propagation losses. Measurements and analyses demonstrate that dopant diffusion into the 3C-SiC pseudo-substrate is confined beneath the interface, and a slightly conductive zone is present beneath the AlN/3C-SiC interface, explaining the low propagation losses obtained for the devices. This work highlights the importance and efficiency of the 3C-SiC intermediate layer as a pseudo-substrate.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Shuang Wang, Lijun Wu, Zhiqing Wang, Ziyue Qian
Summary: The geometric structure and electrical properties of zigzag and armchair DWSiNT perfect tubes with different Stone-Wales defects were simulated using the SCC-DFTB method. It was found that the atomic arrangement, stability, energy gap, and charge distribution strongly depend on the type of tube. The effects of strong and weak electric fields on the tubes were also investigated, showing different impact on stability and energy gap. These findings have implications for future experimental studies.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Nanda Kumar Reddy Nallabala, Sunil Singh Kushvaha, Sambasivam Sangaraju, Venkata Krishnaiah Kummara
Summary: This study focuses on the preparation and performance of MIS-type high-k dielectric oxide-based UV photodetectors. The researchers found that the Au/Ta2O5/GaN devices prepared on Ta2O5/GaN heterojunction with post-annealing exhibited improved photoresponsivity, EQE, and rise/fall times. This improvement is attributed to the optimized band configuration of the Ta2O5/GaN heterostructure and the effect of post-annealing on photogenerated charge carriers.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Jean-Francois Michaud, Marc Portail, Daniel Alquier, Dominique Certon, Isabelle Dufour
Summary: This paper reviews the use of MEMS devices without sensitive layers in gas detection applications. These devices can measure a physical property of the gas to determine its concentration, and have the advantages of generality and high detection limits.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Kanyu Yang, Chaojie Shi, Ruizhao Tian, Haoyue Deng, Jie He, Yangyang Qi, Zhengchun Yang, Jinshi Zhao, Zhen Fan, Jun Liu
Summary: This study investigates the electrical and synaptic properties of Ag/TiO2 nanorod/FTO-based RRAM devices, focusing on the impact of different seed layer thicknesses on nanorod thickness and RRAM performance. The devices show remarkable achievements in terms of endurance, self-compliance, and resistance switching ratio. The switching mechanism is attributed to space-charge-limited conduction resulting from electron trapping in oxygen vacancy traps. The devices also maintain stable synaptic properties even after undergoing multiple cycles of long-term potentiation and depression.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Karthickraj Muthuramalingam, Wei-Chih Wang
Summary: This study presents a non-destructive approach using terahertz time-domain spectroscopy (THz-TDS) to estimate the electrical properties of semi-insulating compound semiconductors. The study successfully measures the resistivity and carrier concentration of semi-insulating Silicon Carbide (SiC) and Indium Phosphide (InP) wafers using THz-TDS in transmission mode. The simplified Drude model and the Nelder-Mead algorithm are employed to estimate the electrical properties, and the results are in accordance with the manufacturer specifications. The feasibility of non-destructive mapping of the electrical properties is demonstrated, offering a promising tomographic inspection approach for online monitoring.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Pengfei Wei, Rui Tong, Xiaofeng Liu, Yao Wei, Yongan Zhang, Xu Liu, Jian Dai, Haipeng Yin, Dongming Liu
Summary: This study investigates the influence of SiNx and SiOxNy as rear-side passivation films on the performance of PERC+ cells. SiNx film is found to have better passivation performance and resistance to aluminum paste erosion, while SiOxNy film exhibits better optical performance. By designing multi-layer SiNx/SiOxNy/SiNx stacks, the cells' efficiency and bifaciality are significantly improved.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Engineering, Electrical & Electronic
Shuangting Ruan, Xiaolan Li, Wen Cui, Zhihui Zhang, Zhihui Xu, Huanqi Cao, Shougen Yin, Shishuai Sun
Summary: Integrating photosensitive electrode materials can effectively improve the low temperature tolerance and enhance energy density and power density. The surface morphology reconstruction technique can increase the active surface area and improve electrolyte contact, leading to higher specific capacity. Additionally, the electrodes demonstrate excellent photoelectric and photothermal conversion abilities, allowing the supercapacitor to maintain high energy density even at low temperatures.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Review
Engineering, Electrical & Electronic
Ashmalina Rahman, James Robert Jennings, Mohammad Mansoob Khan
Summary: This review provides a comprehensive overview of the synthesis and applications of nanostructured CuInS2 in photocatalytic applications. Various strategies, including the introduction of dopants, surface decoration, and heterojunction formation, have been summarized to improve the photocatalytic performance of CuInS2. However, scientific challenges such as the high carrier recombination rate limit the broad application of CuInS2.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)