the structure mechanical and electronic properties of

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ATOM X Y z Nb 2 C Nb (8h) 0.3462 0.7632 0.5000 Nb 2 C C (2b) 0.5000 0.5000 2 rows on pubs.rscStructural, mechanical and electronic properties of Rh 2 B the structure mechanical and electronic properties of

Jun 30, 2015The electronic structure is crucial to the understanding of physical properties of materials. the structure mechanical and electronic properties of A. L. Mechanical and electronic properties (plate) How does the NMC composition affect electrical conductivity?How does the NMC composition affect electrical conductivity?The variation of Ni 2+ /Ni 3+ and Co 2+ /Co 3+ as the NMC composition changes alters the structural stability, electrical conductivity, lattice parameters, elastic modulus, and thermal stability. The theoretical predictions are in excellent agreement with the experimental results.Electronic Structure and Comparative Properties of the structure mechanical and electronic properties of

How is the mobility of graphene limited by the substrate?How is the mobility of graphene limited by the substrate?However, the quality of the graphene and the substrate that is used will be the limiting factors. With silicon dioxide as the substrate, for example, mobility is potentially limited to 40,000 cm2V1s1. "In terms of how far along we are to understanding the true properties of graphene, this is just the tip of iceberg.Properties of Graphene Graphenea(plate) Structural, mechanical and electronic properties of Nb2C the structure mechanical and electronic properties of

2 rowsThe electronic structure is crucial to understand the origin of physical properties of these the structure mechanical and electronic properties of

Atomic Structure, Electronic and Mechanical Properties of the structure mechanical and electronic properties of

The pressure dependence of atomic structure, electronic, and mechanical properties of pyrophyllite is analyzed for a wide range of pressure (from 0 GPa to 13.87 GPa). Under high pressure, the major bond lengths and layer thicknesses decrease slightly, and mechanical properties are improved with increasing pressure.(plate) Author Rasoul Khaledialidusti, Mohammad Khazaei, Vei Wang, Nanxi Miao, Chen Si, Jianfeng Wang, Junjie WangPublish Year 2021Structures, mechanical properties, equations of state, and the structure mechanical and electronic properties of(steel) theory (DFT) with van der Waals (vdW) corrections. The molecular structure, mechanical properties, electronic properties, and equations of state of b-HMX are investigated. For the first time, we predict the elastic constants of b-HMX using DFT-D2 studies. The equations of state under hydrostatic compression are studied for pressures up to 100 GPa.

Author Xinzhan Qin, Jian Zhao, Jiamin Wang, Manchao HeEstimated Reading Time 3 minsPublish Year 2020Understanding the electronic structure, mechanical the structure mechanical and electronic properties of

Jul 08, 2019Our results show that the strong bonds of TMC (TM = Ti, Zr, Hf, Nb, Ta) in (TiZrHfNbTa)C lead to excellent mechanical properties relative to those of TaC, the solid-solution template, and limited lattice distortion, making its electronic structure similar to those of the constituent carbides.(plate) Carbo-graphite Structural, Mechanical, and Electronic the structure mechanical and electronic properties of(steel) Sep 17, 2013The band structures, effective masses of charge carriers, Fermi velocities, and other electronic properties of various bulk graphyne-type carbon allotropes have been calculated and are shown to depend on the number of acetylenic-like linkages between the sp 2 centers and on the stacking mode. Most of the graphitynes are predicted to be graphite-like semimetals, except the ABC--graphityne exhibiting a graphene-like band structure

Cited by 117Publish Year 2018Author Yong Pan, Ping Wang, Chun-Mei ZhangStructural, mechanical and electronic properties of 3d the structure mechanical and electronic properties of

Dec 05, 2013Hence, we have conducted our present investigation, with first-principles computations, to obtain the lattice constants, elastic constants, derived mechanical properties and their relation to electronic properties of all 3d TMNs in three different 1:1 cubic structures, namely zincblende (zb), rocksalt (rs) and cesium chloride (cc), which are either observed experimentally or are plausible structures(plate) Cited by 14Publish Year 2011Author Xue Jiang, Xue Jiang, Jijun Zhao, Jijun Zhao, Xin Jiang, Xin JiangEstimated Reading Time 6 minsthe structure mechanical and electroni(steel) electrical properties of materials pdfelectronic properties of materials pdfelectrical properties of materialelectrical propertieselectronic properties of materials solutionelectronic properties of engineering materialsengineering material propertiesphysical properties of materialsSome results are removed in response to a notice of local law requirement. For more information, please see here.

Cited by 17Publish Year 2015Author Zhanyu Wang, Bo Shen, Fei Dong, BBNgyou Wang, Wan-Sheng SuMechanical and electronic properties of diamond nanowires the structure mechanical and electronic properties of

Sep 13, 2011Generally speaking, the electronic structures, thermal conductivities, and optical properties of these DNWs depend on their surface morphology and diameter and the orientation of the principal axis. Although the mechanical properties of diamond nanowires are as important as the other properties (electronic structures, thermal conductivities the structure mechanical and electronic properties of(plate) Cited by 19Publish Year 2015Author Jing Wu, XiaoYu Chong, Rong Zhou, YeHua Jiang, Jing Feng, Jing FengElectronic Structure and Comparative Properties of the structure mechanical and electronic properties of(steel) We study the electronic structure and valence states in LiNi x Mn y Co z O 2 (NMC) materials and compare the resulting electronic, structural, mechanical, and thermal properties of a class of NMC compositions. The JahnTeller distortion in the transition metal (TM) octahedral complex allows us to determine the ionic states of the TM elements.

Cited by 20Publish Year 2011Author Jianfu Li, Xiaoli Wang, Kai Liu, Daoyong Li, Li ChenEstimated Reading Time 2 minsExploring structural, electronic, and mechanical the structure mechanical and electronic properties of

The results of the mechanical properties of the considered structures imply that oxygen functionalized transition metal borides exhibit the stiffest mechanical strength with 248 < E (N m-1) < 348 while non-terminated transition metal borides are generally the weakest systems with 206 < E (N m-1) < 283.(plate) Cited by 256Publish Year 2011Author J. Feng, J. Feng, B. Xiao, C.L. Wan, Z.X. Qu, Z.C. Huang, J.C. Chen, R. Zhou, W. PanStructure, stability, mechanical and electronic properties the structure mechanical and electronic properties of(steel) Sep 03, 2015The equilibrium crystal structures, stability, elastic properties, hardness and electronic structures of FeP binary compounds (Fe 3 P, Fe 2 P, o-FeP-1, o-FeP-2, FeP 2, m-FeP 4-1, o-FeP 4, m-FeP 4-2) are investigated systematically by first principles calculations. The calculated formation enthalpy is used to estimate the stability of the FeP binary compounds.

Cited by 2Publish Year 2019Author Hwanyeol Park, Hwanyeol Park, Daekwang Woo, Jong Myeong Lee, Se Jun Park, Sungwoo Lee, Ho Jun Kim, E the structure mechanical and electronic properties ofA first-principles study of the electronic structure and the structure mechanical and electronic properties of

The mechanical properties, electronic structures and optical properties of CaAlSiN3 were investigated using the first-principles calculations. The elastic constants, bulk moduli, shear moduli, Young's moduli, and Poisson's ratio were obtained. These results indicate that CaAlSiN3 is (plate) Cited by 31Publish Year 2017Author Li Feng, Li Feng, Xian-Hu Zha, Kan Luo, Qing Huang, Jian He, Yijun Liu, Wei Deng, Shiyu DuPeople also askWhat is the electron configuration of graphene?What is the electron configuration of graphene?These highly-mobile electrons are called pi () electrons and are located above and below the graphene sheet. These pi orbitals overlap and help to enhance the carbon to carbon bonds in graphene. Fundamentally, the electronic properties of graphene are dictated by the bonding and anti-bonding (the valance and conduction bands) of these pi orbitals.Properties of Graphene Graphenea

Cited by 37Publish Year 2014Author XiaoYu Chong, YeHua Jiang, Rong Zhou, Jing FengEstimated Reading Time 1 minElectronic structure, mechanical properties and thermal the structure mechanical and electronic properties of

Feb 01, 2011In contrast to calculations of electronic structure, the mechanical properties are nearly independent of U values, because U is only used to correct the on-site Coulomb interactions for the highly localized 4f orbital, and which is not directly related to stressstrain evaluations; actually, the mechanical properties obtained by LDA and LSDA + U are similar to each other for Ln 2 Zr 2 O 7 compounds. (plate) Cited by 5Publish Year 2020Author Yanqing Qin, Xian-Hu Zha, Xiaojing Bai, Kan Luo, Qing Huang, Yi Wang, Shiyu DuStructures and Mechanical and Electronic Properties of the the structure mechanical and electronic properties of(steel) Feb 06, 2017The structures and mechanical and electronic properties are thoroughly studied for the configurations with varying alloying atom concentrations. The choices of alloying elements play a critical role in determining the lattice parameters and layer thickness.

Cited by 63Publish Year 2019Author Y. Pan, C. Jing, Y.P. WuStructural, mechanical and electronic properties of two the structure mechanical and electronic properties of

In order to understand and apply MXenes terminated by this type functional group, the structural, mechanical and electronic properties of M 2 X 2 Cl 2 and M 3 X 2 Cl 2 (M = Sc, Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, W; X = C, N) are investigated in this work from first-principles theory.(plate) Cited by 65Publish Year 2013Author Jean-Marie Ducéré, Christine Lepetit, Remi ChauvinAb initio study of the structure, elastic, and electronic the structure mechanical and electronic properties of(steel) ), high entropy alloys (HEAs) is now a flourishing research area in metal alloys with no insight. HEAs are complex multicomponent homogeneous single crystalline alloys (Gao et al., 2016; Lim, 2016; Ye et al., 2016; Miracle and Senkov, 2017) comprised of four, five or more principal components in near equal concentrations. They possess many outstanding physical properties includinSee more on frontiersinAuthor Saro San, Wai-Yim ChingPublish Year 2020First principles investigation on energetics, structure the structure mechanical and electronic properties of(steel) Dec 12, 2019Amorphous carbon (a-C) films have received significant attention due to their reliable structures and superior mechanical, chemical and electronic properties 1,2,3, making them a

Cited by 77Publish Year 2017Author Hong Sun, Kejie ZhaoStructure, mechanical, electronic and thermodynamic the structure mechanical and electronic properties of

Aug 01, 2018In particular, the investigates of crystal structure and electronic structures are particularly interest, as they show fascinating properties excellent mechanical properties, high melting-point, better thermal stability, better oxidation resistance and good conductivity etc , , , .(plate) Cited by 82Publish Year 2014Author Z T Y Liu, X Zhou, S V Khare, D GallMechanical and electronic properties of Si, Ge and their the structure mechanical and electronic properties of(steel) Mechanical and electronic properties of Si, Ge and their alloys in P4 2/mnm structure Qingyang Fana,n, Changchun Chaia, Qun Weib, Qi Yanga, Peikun Zhouc, Mengjiang Xingd, Yintang Yanga a Key Laboratory of Ministry of Education for Wide Band-Gap Semiconductor Materials and Devices, School of Microelectronics, Xidian University, Xian 710071, PR China b School of Physics and Optoelectronic the structure mechanical and electronic properties of

Cited by 9Publish Year 2015Author Binhua Chu, Da Li, Fubo Tian, Defang Duan, Xiaojing Sha, Yunzhou Lv, Huadi Zhang, Bingbing Liu, Tian the structure mechanical and electronic properties ofMechanical properties, electronic structure and bonding of the structure mechanical and electronic properties of

The mechanical properties and electronic structure of alpha- and beta-tricalcium phosphate (TCP) crystals are studied by using two ab initio density functional methods, the Vienna Ab initio Simulation Package (VASP) and the orthogonalized linear combination of atomic orbitals method. Based on the VA (plate) Cited by 9Publish Year 2019Author Qian Zhang, Jinyong Zhang, Neng Li, Wenjie ChenEstimated Reading Time 3 minsStructural, mechanical and electronic properties of 3d the structure mechanical and electronic properties of(steel) Structural, mechanical and electronic properties of 3d transition metal nitrides in cubic zincblende, rocksalt and cesium chloride structures a first-principles investigation View the table of contents for this issue, or go to the journal homepage for more

Crystal structures, mechanical and electronic properties the structure mechanical and electronic properties of

Jun 30, 2011Abstract. With density functional theory, structural, electronic and mechanical properties of tantalum monocarbide (TaC) and tantalum mononitride (TaN) of the tungsten carbide (WC), nickel arsenide (NiAs), rock salt (NaCl), cesium chloride (CsCl), and zinc blende structure were investigated, respectively. Our results indicate that TaN of the WC-type structure (TaN-WC), which (plate) Electronic structures mechanical and thermal properties of the structure mechanical and electronic properties of(steel) The electronic structure, mechanical and thermal properties of VC, -V 2 C, -V 2 C, V 4 C 3, V 6 C 5 and V 8 C 7 are investigated systematically by the first principles calculation using density functional theory combined with the Debye quasi-harmonic approximation. Formation enthalpy is calculated and used to estimate the stability of the VC binary compounds.

First principle study of structural, mechanical the structure mechanical and electronic properties of

In this present work, we have uncovered the structural stability, mechanical, electronic and optical properties of earth-abundant titanium based vacancy ordered double perovskites K 2 TiX 6 (X = Cl, Br, I) through the density functional theory. The material's thermal stabilities are calculated from the formation energies; K 2 TiCl 6 is the most thermally stable material among K 2 TiX 6 (X = Cl the structure mechanical and electronic properties of(plate) Microstructural, electronic, and mechanical properties of the structure mechanical and electronic properties of(steel) Abstract The crystal structure, elastic properties, and electronic structure of Al4La and Al4Sm intermetallics were systematically studied by both experimental (SEM, EDS, and nano-indentation) and theoretical methods (first-principle calculations). The microstructure of Al-10% La/Sm alloy exhibited a continuous reticular structure containing intermetallics with long needle-like shapes.

The structure, mechanical and electronic properties of the structure mechanical and electronic properties of

Sep 01, 2019It is obvious that the mechanical and electronic properties of a solid are markedly influenced by the structural configuration [20,21]. Recently, the crystal structure of WSi 2 has been studied by Lukovic et al. . Although the C54 orthorhombic structure is reported, the structural stability and the related mechanical properties of this structure are unclear.

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