Atomic structures of twin boundaries in CoO

2021 ◽  
Author(s):  
Wandong Xing ◽  
Yang Zhang ◽  
Jizhe Cui ◽  
Shiyou Liang ◽  
Fanyan Meng ◽  
...  
Keyword(s):  
Rock Salt ◽  
Face Centered Cubic ◽  
Twin Boundaries ◽  
Fcc Metals ◽  
Atomic Structures ◽  
Twinning Plane ◽  
Face Centered ◽  
Fcc Structure

The twinning plane of crystals with face-centered-cubic (FCC) structure is usually the (111) plane, as found in FCC metals and oxides with FCC sublattice of oxygen, like rock-salt-type NiO and...

Analysis on the Twinning of FCC Metals by EBSD

2012 ◽  
Vol 472-475 ◽  
pp. 700-706 ◽  
Author(s):  
Guang Sheng Song ◽  
Shi Hong Zhang ◽  
Ming Cheng ◽  
Bin Wang
Keyword(s):  
Rotation Angle ◽  
Rotation Axis ◽  
Face Centered Cubic ◽  
Practical Application ◽  
Fcc Metals ◽  
Twinning Plane ◽  
Twinning Direction ◽  
Face Centered

For the technology of EBSD, the twinning of metals was described in the form of rotation angle combined with rotation axis, while the twinning of metals was usually described in the form of twinning plane combined with twinning direction. In this report, the corresponding relationship between the two description forms of twinning of face-centered cubic (FCC) metals has been built, based on this relationship, the twinning plane and twinning direction of FCC metals can be determined by EBSD. As the practical application of this relationship above, the twinning variants of two kinds of Ni based superalloys were analyzed.

A Study on the Uniaxial Tension of FCC Metals at Nano Level Using MD

2008 ◽  
Vol 32 ◽  
pp. 255-258
Author(s):  
Bohayra Mortazavi ◽  
Akbar Afaghi Khatibi
Keyword(s):  
Molecular Dynamics ◽  
Uniaxial Tension ◽  
Md Simulations ◽  
Dynamics Simulation ◽  
Face Centered Cubic ◽  
Engineering Strain ◽  
Fcc Metals ◽  
Engineering Stress ◽  
Nano Science ◽  
Face Centered

Molecular Dynamics (MD) are now having orthodox means for simulation of matter in nano-scale. It can be regarded as an accurate alternative for experimental work in nano-science. In this paper, Molecular Dynamics simulation of uniaxial tension of some face centered cubic (FCC) metals (namely Au, Ag, Cu and Ni) at nano-level have been carried out. Sutton-Chen potential functions and velocity Verlet formulation of Noise-Hoover dynamic as well as periodic boundary conditions were applied. MD simulations at different loading rates and temperatures were conducted, and it was concluded that by increasing the temperature, maximum engineering stress decreases while engineering strain at failure is increasing. On the other hand, by increasing the loading rate both maximum engineering stress and strain at failure are increasing.

scholarly journals Potential high-Tc superconducting lanthanum and yttrium hydrides at high pressure

2017 ◽  
Vol 114 (27) ◽  
pp. 6990-6995 ◽  
Author(s):  
Hanyu Liu ◽  
Ivan I. Naumov ◽  
Roald Hoffmann ◽  
N. W. Ashcroft ◽  
Russell J. Hemley
Keyword(s):  
Group Structure ◽  
High Temperature Superconductors ◽  
Face Centered Cubic ◽  
Superconducting Transition ◽  
High Tc ◽  
Structure Search ◽  
Systematic Structure ◽  
Face Centered ◽  
Fcc Structure ◽  
Very High

A systematic structure search in the La–H and Y–H systems under pressure reveals some hydrogen-rich structures with intriguing electronic properties. For example, LaH10 is found to adopt a sodalite-like face-centered cubic (fcc) structure, stable above 200 GPa, and LaH8 a C2/m space group structure. Phonon calculations indicate both are dynamically stable; electron phonon calculations coupled to Bardeen–Cooper–Schrieffer (BCS) arguments indicate they might be high-Tc superconductors. In particular, the superconducting transition temperature Tc calculated for LaH10 is 274–286 K at 210 GPa. Similar calculations for the Y–H system predict stability of the sodalite-like fcc YH10 and a Tc above room temperature, reaching 305–326 K at 250 GPa. The study suggests that dense hydrides consisting of these and related hydrogen polyhedral networks may represent new classes of potential very high-temperature superconductors.

scholarly journals Ti-V-C-Based Alloy with a FCC Lattice Structure for Hydrogen Storage

Molecules ◽  
2019 ◽  
Vol 24 (3) ◽  
pp. 552
Author(s):  
Bo Li ◽  
Liqing He ◽  
Jianding Li ◽  
Hai-Wen Li ◽  
Zhouguang Lu ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
Room Temperature ◽  
Lattice Structure ◽  
Activation Process ◽  
Face Centered Cubic ◽  
Hydrogen Storage Materials ◽  
Fcc Lattice ◽  
Bcc Structure ◽  
Face Centered ◽  
Fcc Structure

Here we report a Ti50V50-10 wt.% C alloy with a unique lattice and microstructure for hydrogen storage development. Different from a traditionally synthesized Ti50V50 alloy prepared by a melting method and having a body-centered cubic (BCC) structure, this Ti50V50-C alloy synthesized by a mechanical alloying method is with a face-centered cubic (FCC) structure (space group: Fm-3m No. 225). The crystalline size is 60 nm. This alloy may directly absorb hydrogen near room temperature without any activation process. Mechanisms of the good kinetics from lattice and microstructure aspects were discussed. Findings reported here may indicate a new possibility in the development of future hydrogen storage materials.

Interactions between non-screw lattice dislocations and coherent twin boundaries in face-centered cubic metals

2008 ◽  
Vol 56 (5) ◽  
pp. 1126-1135 ◽  
Author(s):  
Z.-H. Jin ◽  
P. Gumbsch ◽  
K. Albe ◽  
E. Ma ◽  
K. Lu ◽  
...  
Keyword(s):  
Face Centered Cubic ◽  
Twin Boundaries ◽  
Cubic Metals ◽  
Face Centered

Ozone-Based Atomic Layer Deposition of HfO2 and HfxSi1-xO2 and Film Characterization

2004 ◽  
Vol 811 ◽  
Author(s):  
Yoshihide Senzaki ◽  
Seung Park ◽  
Douglas Tweet ◽  
John F. Conley ◽  
Yoshi Ono
Keyword(s):  
Atomic Layer ◽  
Optical Measurements ◽  
Face Centered Cubic ◽  
Hafnium Silicate ◽  
X Ray ◽  
Layer Deposition ◽  
Face Centered ◽  
Fcc Phase ◽  
20 Nm ◽  
Fcc Structure

Abstract:New ALD processes for hafnium silicate films have been developed at Aviza Technology by co-injection of tetrakis(ethylmethylamino)hafnium and tetrakis(ethylmethylamino)silicon precursors. Alternating pulses of the Hf/Si precursor vapor mixture and ozone allow process temperatures below 400°C to grow HfxSi1-xO2 films. Film characterization, including film density, crystallinity, and thermal anneal effect, was performed on five 20 nm thick HfxSi1-xO2 films where x = 0.2, 0.4, 0.6, 0.8, 1.0. X-ray measurements revealed the film densities and thicknesses for the as-deposited and 1000°C annealed samples. The densification with anneals seen in the optical measurements were confirmed. The as-deposited amorphous HfO2 and Hf0.8Si0.2O2 were crystallized after a 600°C anneal. The HfO2 formed the well known monoclinic phase while the silicate formed a face-centered-cubic (fcc) structure. This fcc phase has only recently been mentioned in the literature [1].

scholarly journals Textures in Pure Shear Deformed Rock Salt

1995 ◽  
Vol 24 (1-3) ◽  
pp. 133-141 ◽  
Author(s):  
W. Skrotzki ◽  
K. Helming ◽  
H.-G. Brokmeier ◽  
H.-J. Dornbusch ◽  
P. Welch
Keyword(s):  
Rock Salt ◽  
Room Temperature ◽  
Pure Shear ◽  
Deformation Texture ◽  
Shear Stresses ◽  
Face Centered Cubic ◽  
Taylor Model ◽  
Cubic Metals ◽  
Face Centered ◽  
Increasing Temperature

Texture formation in pure shear deformed rock salt has been studied by neutron diffraction. The textures developed are comparable to those of rolled face-centered cubic metals with high stacking fault energy. At room temperature the texture consists of a strong S and copper and a weaker brass component. It is replaced by static and/or dynamic recrystallization by a strong cube and a subordinate Goss component. Comparison of the experimental textures with simulations based on different models shows that the low temperature high strain deformation texture can be qualitatively well explained by the Taylor model using slip on {110}〈110〉, {100}〈110〉 and {111}〈110〉 systems with equal critical resolved shear stresses. Relaxation with increasing temperature introduces the cube and Goss component, which may represent the nuclei for recrystallization. The study shows that texture simulations on salt without considering recrystallization lead to misleading conclusions.

scholarly journals Simple Metal and Binary Alloy Phases Based on the fcc Structure: Electronic Origin of Distortions, Superlattices and Vacancies

2017 ◽  
Author(s):  
Valentina F. Degtyareva ◽  
Nataliya S. Afonikova
Keyword(s):  
Binary Alloy ◽  
Complex Structures ◽  
Face Centered Cubic ◽  
Energy Contribution ◽  
Simple Metal ◽  
Fermi Sphere ◽  
The Face ◽  
Face Centered ◽  
The Stability ◽  
Fcc Structure

Crystal structures of simple metals and binary alloy phases based on the face-centered cubic (fcc) structure are analyzed within the model of Fermi sphere – Brillouin zone interactions to understand the stability of original cubic structure and derivative structures with distortions, superlattices and vacancies. Examination of the Brillouin-Jones configuration in relation to the nearly-free electron Fermi sphere for several representative phases reveals significance of the electron energy contribution to the phase stability. Representation of complex structures in the reciprocal space clarifies their relationship to the basic cubic cell.

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