Results 21 to 30 of about 105,594 (305)

Development of neural network potential for Al-based alloys containing vacancy

Mechanical Engineering Journal, 2023
Potential energy of an alloy is an essential indicator for evaluating the stability of the structure in predicting new materials. Therefore, how to calculate the potential energy in material design has become an inevitable problem. While first-principles
Jia ZHAO, Yutaro MAEDA, Kenjiro SUGIO, Gen SASAKI   +3 more
doaj   +1 more source

Low temperature detection of ammonia vapor based on Al-doped SnO2 nanowires prepared by thermal evaporation technique

Journal of Asian Ceramic Societies, 2018
With the growth of nanotechnology during the last few decades, development of novel materials, devices, or other structures possessing at least one dimension in nanoscale has found immense attractions for functional applications. The present work reports
Sudip K. Sinha
doaj   +1 more source

Molecular Dynamic Simulation of Defective Graphene Nanoribbons for Tension and Vibration

Nanomaterials, 2022
As deformation and defects are inevitable during the manufacture and service of graphene resonators, comprehensive molecular dynamic (MD) simulations are performed to investigate the vibrational properties of the defective single-layer graphene sheets ...
Jia-Jia Mao, Shuang Liu, Lili Li, Jie Chen   +3 more
doaj   +1 more source

Structural Transition of Vacancy–Solute Complexes in Al–Mg–Si Alloys

Metals, 2021
To theoretically examine the structural transition of vacancy–solute complexes in Al–Mg–Si alloys, we performed first-principles calculations for layered vacancy–solute complexes with additional Mg atoms.
Masataka Mizuno, Kazuki Sugita, Hideki Araki   +2 more
doaj   +1 more source

Vacancy-related color centers in two-dimensional silicon carbide monolayers

Basic vacancy defects in two-dimensional silicon carbide (2D-SiC) are examined by means of density functional theory calculations to explore their magneto-optical properties as well as their potential in quantum technologies.
Péter Udvarhelyi (14405826), I Abdolhosseini Sarsari (18845737), S Karbasizadeh (18845740), Q Hassanzada (18845743), A Gali (18845746), M Mohseni (18845734), Tapio Ala-Nissila (3814327)   +6 more
core   +5 more sources

The Effect of Vacancies on Grain Boundary Segregation in Ferromagnetic fcc Ni

Nanomaterials, 2020
This work presents a comprehensive and detailed ab initio study of interactions between the tilt Σ5(210) grain boundary (GB), impurities X (X = Al, Si) and vacancies (Va) in ferromagnetic fcc nickel.
Martina Mazalová, Monika Všianská, Jana Pavlů, Mojmír Šob   +3 more
doaj   +1 more source

Influence of Vacancy on Structural Stability, Mechanical Properties and Electronic Structures of a Ti₅Sn₃ Compound from First-Principles Calculations

Crystals, 2022
Titanium alloy is widely used in biomedical materials. Ti-Sn alloy is a new type β titanium alloy with no toxicity. In this paper, the mechanical and electronic properties of Ti5Sn3 with vacancy defects have been studied by using first-principles method.
Xingzhi Pang, Fenggui Wei, Dong Liu, Wenchao Yang, Yanjun Zhao, Jingwu Wu, Mingjun Pang, Jianbing Yang   +7 more
doaj   +1 more source

Optimization of sodium hydroxide for securing high thermoelectric performance in polycrystalline Sn1 − xSe via anisotropy and vacancy synergy

InfoMat, 2020
The morphology and composition are two key factors to determine the thermoelectric performance of aqueously synthesized tin selenide (SnSe) crystals; however, their controlling is still under exploring. In this study, we report a high figure‐of‐merit (ZT)
Xiao‐Lei Shi, Wei‐Di Liu, Ang‐Yin Wu, Van T. Nguyen, Han Gao, Qiang Sun, Raza Moshwan, Jin Zou, Zhi‐Gang Chen   +8 more
doaj   +1 more source

Effect of Vacancy Defect Content on the Interdiffusion of Cubic and Hexagonal SiC/Al Interfaces: A Molecular Dynamics Study

Molecules, 2023
The mechanical properties of ceramic–metal nanocomposites are greatly affected by the equivalent properties of the interface of materials. In this study, the effect of vacancy in SiC on the interdiffusion of SiC/Al interfaces is investigated using the ...
Masoud Tahani, Eligiusz Postek, Leili Motevalizadeh, Tomasz Sadowski   +3 more
doaj   +1 more source

Experience With Performing Rheocarna Therapy via the Single‐Needle Method for Treatment of Chronic Limb‐Threatening Ischemia

Therapeutic Apheresis and Dialysis, EarlyView.
ABSTRACT Introduction This study investigated the safety and efficacy of single‐needle Rheocarna therapy for chronic limb‐threatening ischemia (CLTI) with wounds. Methods Six patients with CLTI involving ulcers unresponsive to revascularization underwent single‐needle Rheocarna treatment.
Yasutaka Yamauchi, Rie Tanaka, Reona Kawahira, Shingo Nabeta, Kouhei Naoi, Kazuhito Kitajima, Akira Wada, Tomonari Takagi, Norihiko Ohura, Akira Miyamoto   +9 more
wiley   +1 more source