Výsledky vyhledávání - "ATOMIC structure"

Theoretical investigation of interface atomic structure of graphene on NiFe alloy substrate.

Autoři: Matsumoto, Naohiro Endo, Ryusuke Uemoto, Mitsuharu a další

Zdroj: Journal of Applied Physics. 9/14/2025, Vol. 138 Issue 10, p1-6. 6p.

Témata: *IRON-nickel alloys, *ATOMIC structure, *MAGNETORESISTANCE, *EVAPORATION (Chemistry), *DENSITY functional theory

HEroBM: A deep equivariant graph neural network for high-fidelity backmapping from coarse-grained to all-atom structures.

Autoři: Angioletti, Daniele Raniolo, Stefano Limongelli, Vittorio

Zdroj: Journal of Chemical Physics. 8/21/2025, Vol. 163 Issue 7, p1-18. 18p.

Témata: *MOLECULAR dynamics, *ATOMIC structure, *MACHINE learning, *COORDINATES, *MATHEMATICS

Dynamic buckling of Si tetramers on the Si(111)-7 × 7 surface.

Autoři: Zhachuk, R. Coutinho, J. Sheglov, D.

Zdroj: Journal of Chemical Physics. 6/21/2025, Vol. 162 Issue 23, p1-6. 6p.

Témata: *SCANNING tunneling microscopy, *ATOMIC structure, *HOMOEPITAXY

Multiple and transforming vibrational identities of atoms in amorphous solids.

Autoři: Duan, J. Ding, G. Cai, S. L. a další

Zdroj: Journal of Chemical Physics. 1/28/2025, Vol. 162 Issue 4, p1-9. 9p.

Témata: *AMORPHOUS substances, *ATOMIC structure, *ATOMS, *SPINE, *PHYSICS

Atomic‐scale structure elucidation of refractory metal carbides derived from metallocene‐based preceramics.

Autoři: Chua, Stephanie L. Hackbarth, Haira G. Ponder, James F. a další

Zdroj: Journal of the American Ceramic Society. Dec2025, Vol. 108 Issue 12, p1-13. 13p.

Témata: *ATOMIC structure, *TRANSITION metal carbides, *METALLOCENES, *PYROLYSIS, *MATERIALS science, *MONTE Carlo method, *THREE-dimensional printing, *PREPOLYMERS

Atomic-scale observation of Σ5{310} and Σ9{411} grain boundaries in silicon steel.

Autoři: Futazuka, Toshihiro Arai, Masaki Seki, Takehito a další

Zdroj: Journal of Materials Science. Nov2025, Vol. 60 Issue 42, p20776-20785. 10p.

Témata: *SILICON steel, *ATOMIC structure, *CRYSTAL grain boundaries, *SURFACE texture, *HYPOTHESIS, *SCANNING transmission electron microscopy

Unitary Entities Are the True "Atoms".

Autoři: Jeynes, Chris Parker, Michael Charles

Zdroj: Entropy. Nov2025, Vol. 27 Issue 11, p1119. 22p.

Témata: *ATOMIC structure, *PARTICLES (Nuclear physics), *SCALE invariance (Statistical physics), *THERMODYNAMIC laws, *THERMODYNAMICS, *UNCERTAINTY (Information theory)

Quantum origin of atoms and molecules – role of electron dynamics and energy degeneracy in atomic reactivity and chemical bonding.

Autoři: Nordholm, Sture¹ (AUTHOR) ksjn@chem.gu.se

Zdroj: Pure & Applied Chemistry. Nov2025, Vol. 97 Issue 11, p1721-1747. 27p.

Témata: *ATOMIC structure, *REACTIVITY (Chemistry), *QUANTUM mechanics, *CHEMICAL bonds, *COVALENT bonds, *ELECTRON-electron interactions, *IONIC bonds

Periodicity of Atomic Structure in a Thomas-Fermi Mean-Field Model.

Autoři: Bjerg, August Solovej, Jan Philip

Zdroj: Communications in Mathematical Physics. Nov2025, Vol. 406 Issue 11, p1-38. 38p.

Témata: *ATOMIC structure, *DENSITY functional theory, *MEAN field theory, *SCHRODINGER operator, *MATHEMATICAL analysis, *NUCLEAR charge, *SELFADJOINT operators

Depth of field of multi‐slice electron ptychography: Investigating energy and convergence angle.

Autoři: Allars, Frederick Maiden, Andrew Batey, Darren J. a další

Zdroj: Journal of Microscopy. Nov2025, Vol. 300 Issue 2, p191-200. 10p.

Témata: *ATOMIC structure, *HIGH resolution imaging, *FORCE & energy, *SMALL-angle scattering, *ELECTRON microscopy

In search of the impossible.

Autoři: Cutts, Elise

Zdroj: New Scientist; 11/22/2025, Vol. 268 Issue 3570, p38-41, 4p, 4 Color Photographs

Témata: QUASICRYSTALS, METEORITES, GEOPHYSICS, CRYSTAL symmetry, HISTORY of geology, ATOMIC structure, NUCLEAR explosions

Atomic order induced reduction of Gilbert damping constant and enhancement of half-metallicity in off-stoichiometric Co2FeGa0.5Ge0.5 Heusler alloy thin films.

Autoři: Bhat, Madhav M. Simalaotao, K. Suto, H. a další

Zdroj: Journal of Applied Physics; 7/28/2025, Vol. 138 Issue 4, p1-9, 9p

Témata: SPINTRONICS, HEUSLER alloys, SPUTTER deposition, FERROMAGNETIC resonance, MAGNETORESISTANCE, ATOMIC structure, SPIN polarization

Temperature-induced structural evolution in liquid Bi86.8Au13.2 alloy.

Autoři: Wang, X. L. Wang, X. D. Cao, Q. P. a další

Zdroj: Journal of Chemical Physics; 7/21/2025, Vol. 163 Issue 3, p1-11, 11p

Témata: LIQUID alloys, PHASE transitions, X-ray diffraction, ATOMIC structure, TEMPERATURE effect, MOLECULAR dynamics, BISMUTH alloys

Site-selective reactivity modulation with intact reaction dynamics in H2 dissociation on single-atom alloy Au1/Ag(111) surface: Six dimensional quantum insights.

Autoři: Meng, Kaixin Huang, Haiming Liu, Tianhui

Zdroj: Journal of Chemical Physics; 7/7/2025, Vol. 163 Issue 1, p1-9, 9p

Témata: DENSITY functional theory, DISSOCIATION (Chemistry), POTENTIAL energy surfaces, METALLIC surfaces, ATOMIC structure, QUANTUM theory, REACTIVITY (Chemistry), VIBRATIONAL transitions (Molecular physics)

Photoionization of aziridine: Nonadiabatic dynamics of the first six low-lying electronic states of the aziridine radical cation.

Autoři: Rani, Vadala Jhansi Kanakati, Arun Kumar Mahapatra, S.

Zdroj: Journal of Chemical Physics. 9/7/2024, Vol. 161 Issue 9, p1-19. 19p.

Témata: *AB initio quantum chemistry methods, *ATOMIC structure, *ELECTRONIC density of states, *TIME-dependent Schrodinger equations, *PHOTOELECTRON spectra

Location preference of boron and nitrogen dopants at graphene/copper interface.

Autoři: Zhong, Boan Ni, Jiamiao Zhang, Qi a další

Zdroj: Journal of Applied Physics. 8/7/2024, Vol. 136 Issue 5, p1-11. 11p.

Témata: *VAPOR-plating, *ATOMIC structure, *DOPING agents (Chemistry), *SUBSTRATES (Materials science), *GRAPHENE

Effects of carbon concentration on the local atomic structure of amorphous GST.

Autoři: Appleton, Robert J. McClure, Zachary D. Adams, David P. a další

Zdroj: Journal of Chemical Physics. 5/7/2024, Vol. 160 Issue 17, p1-11. 11p.

Témata: *ATOMIC structure, *PHASE transitions, *AMORPHOUS carbon, *PHASE change materials, *MOLECULAR dynamics, *DENSITY functional theory, *DOPING agents (Chemistry), *FULLERENES

Theoretical study of the influence of GaOx interfacial layer on the GaN/SiO2 interface property.

Autoři: Hattori, Shuto Oshiyama, Atsushi Shiraishi, Kenji

Zdroj: Journal of Applied Physics. 5/7/2024, Vol. 135 Issue 17, p1-7. 7p.

Témata: *ATOMIC structure, *GALLIUM nitride, *VALENCE bands

Pressure effect on the atomic structure of amorphous silicon.

Autoři: Amigo, Nicolás¹ (AUTHOR) namigo@utem.cl

Zdroj: Journal of Molecular Modeling. Sep2025, Vol. 31 Issue 9, p1-9. 9p.

Témata: *AMORPHOUS silicon, *ATOMIC structure, *RADIAL distribution function, *INTERNAL energy (Thermodynamics), *FLUID pressure, *MOLECULAR dynamics, *COMPACTING, *BOND angles

AI 助教在普通化学原理混合式教学中的研究与应用 --以"原子结构"教学为例.

Alternate Title: Research and Application of AI Teaching Assistants in the Blended Teaching of Principles of General Chemistry: A Case Study of "Atomic Structure".

Autoři: 武文娜 张涛 何涛 a další

Zdroj: University Chemistry. 2025, Vol. 40 Issue 9, p245-252. 8p.

Témata: *ATOMIC structure, *BLENDED learning, *TEACHERS' assistants, *DIGITAL transformation, *TEACHING methods, *INDIVIDUALIZED instruction, *CHEMISTRY students, *EDUCATIONAL change