About 1,270,263 results (2,240 milliseconds)
Creating Unit Cell file
https://groups.google.com/g/vampire-users/c/9ThHMDZk4h4 May 1, 2021 ... 3) When you create the atoms, the first line tells you how many ... You mentioned Co, is this equally applicable to hcp Co? Like what ...
Modifying hcp.cpp file to create trigonal or hexagonal lattice
https://groups.google.com/g/vampire-users/c/Sd-Ke8looSo Oct 12, 2021 ... Since Te atoms are non-magnetic, I only kept Cr atoms for my simulations. Without the Te atoms, the lattice is now hexagonal instead of ...
hcp (111)
https://groups.google.com/g/vampire-users/c/FsXzHbAgwcI The difficulty comes with filling the interactions part of ucf file with the increased number of atoms. For a single species, this can be on a spreadsheet ...
Harry Kendell - Google Scholar
https://scholar.google.com/citations?user=ygr8O2QAAAAJ&hl=en HCP Kendell, G Ferranti, CA Weidner. APL Quantum 1 (2), 2024. 3, 2024 ... Quantum dynamics of atoms in number-theory-inspired potentials. D Cassettari ...
US11524279B1 - Transition metal carbides for catalytic methane ...
https://patents.google.com/patent/US11524279B1/en ... atoms favorably occupy the HCP sites above the topmost C atoms of the support. ... The Pt dispersion, i.e., the ratio of the number of surface atoms to the ...
ucf !
https://groups.google.com/g/vampire-users/c/5-FANO0dHqo Jun 24, 2022 ... Can anyone guide me or share python script to generate ucf for hexagonal or trigonal systems? ... Enter number of atoms [example: 4] 4. Enter atom ...
Dr. Abdulrafiu Tunde RAJI, PhD (Cape Town, South Africa) - Google ...
https://scholar.google.com/citations?user=2wnYrhcAAAAJ&hl=en ... Many-Body Perturbation Theory - High performance computing & Machi ... Intrinsic defects and krypton impurity atoms in hcp titanium: A first-principles study.
State between Liquid and Crystal: Locally Crystalline but with the ...
https://feedproxy.google.com/~r/acs/cgdefu/~3/2uxdISaRWN8/acs.cgd.6b00209 The initial amorphous configuration has 35% of molecules identified as fcc-like, 21% hcp-like, and 45% bcc-like. This is the configuration number 5 of Table S1, ...
Dongwoo Lee - Google Scholar
https://scholar.google.com/citations?user=efffEt0AAAAJ&hl=en 2014. Ab initio study of H, B, C, N, O, and self-interstitial atoms in hcp-Zr. D You, S Ganorkar, M Joo, D Park, S Kim, K Kang, D Lee. Journal of Alloys and ...
Wolverton Research Group - Lab3
https://sites.google.com/site/wolvertonresearchgroup/classes/458/lab3 Find an appropriate value of celldm(3) from your knowledge of the ideal HCP structure. Two atoms comprise one unit cell. ... total energy converges with fewer ...
Edgar Josué Landinez Borda - Google Scholar
https://scholar.google.com/citations?user=vOThC6YAAAAJ&hl=en QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids. J Kim, AD Baczewski, TD Beaudet, A ...
WO2024184183A1 - Method for host cell protein detection - Google ...
https://patents.google.com/patent/WO2024184183A1/en Sep 12, 2024 ... Number of identified HCP protein groups processed with either a global HCP ... number of carbon atoms present in the alkyl chains of the ...
Sooran Kim - Google Scholar
https://scholar.google.com/citations?user=F-XMs7IAAAAJ&hl=en Machine learning-based prediction models for formation energies of interstitial atoms in HCP crystals. D You, S Ganorkar, S Kim, K Kang, WY Shin, D Lee. Scripta ...
Wei Ji - Google Scholar
https://scholar.google.com/citations?user=RwAPss0AAAAJ&hl=en Stability of self-interstitial atoms in hcp-Zr. Q Peng, W Ji, H Huang, S De. Journal of Nuclear Materials 429, 233-236, 2012. 61, 2012. First-principles study ...
Victor Belan - Академия Google
https://scholar.google.com/citations?user=PjIqMoIAAAAJ&hl=en Interaction of two substitutional impurity atoms in an hcp crystal. VI Belan, AI Landau. Low Temperature Physics 36 (4), 360-362, 2010. 3, 2010. Quantum ...
Discrete Deformation-Twinning Model
https://sites.google.com/iitdh.ac.in/discrete-deformation-twinning 3D Model of HCP unit cell. ... Arrangement of Atoms in HCP lattice. (Source: DAMASK). Monte Carlo Method.
US11734478B2 - Spliced soft-core interaction potential for filling ...
https://patents.google.com/patent/US11734478B2/en Many molecules of interest, such as those in ionic liquids for example, are ... The SSCP can be used, for example, to approximate a target hard core interaction ...
WO2014186350A1 - Purification of recombinantly produced ...
https://patents.google.com/patent/WO2014186350A1/en ... atoms, do not significantly alter the level of HCP in the eluate. However, as fatty acid chain length is increased, a reduction in HCP is observed. In ...
Sooran Kim - Google 학술 검색
https://scholar.google.com/citations?user=F-XMs7IAAAAJ&hl=zh-CN Machine learning-based prediction models for formation energies of interstitial atoms in HCP crystals. D You, S Ganorkar, S Kim, K Kang, WY Shin, D Lee.
CN115698722A - Methods for characterizing low abundance host ...
https://patents.google.com/patent/CN115698722A/en ... molecules than the analyte, e.g., HCP or HCP peptide. Exploring HCP enrichment to achieve detection levels is not readily feasible because HCP impurities in ...