Works matching DE "ATOMIC displacements"

Results: 501

Crystal structure of (E)-(3-(2,4-dichlorophenyl)acryloyl)ferrocene, C19H14Cl2FeO.

Published in:

Zeitschrift für Kristallographie / New Crystal Structures, 2025, v. 240, n. 3, p. 535, doi. 10.1515/ncrs-2025-0121

By:

Zhang, Shuang;
Gao, Jie;
Wen, Juanjuan;
Gao, Yanrong;
Liu, Bin

Publication type:

Article

Crystal structure of (Z)-2-(5-((4-(dimethylamino)naphthalen-1-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, C18H16N2O3S2.

Published in:

Zeitschrift für Kristallographie / New Crystal Structures, 2025, v. 240, n. 3, p. 529, doi. 10.1515/ncrs-2025-0112

By:

Li, Yi;
Tan, Bo

Publication type:

Article

The structural, electronic, magnetic, optical and vibrational properties of the delafossite CuAlO2: DFT calculations and experimental study.

Published in:

Journal of Materials Science: Materials in Electronics, 2022, v. 33, n. 35, p. 26474, doi. 10.1007/s10854-022-09326-y

By:

Khedidji, Mohamed;
Saib, Faouzi;
Mahroua, Oussama;
Trari, Mohamed

Publication type:

Article

Layer-effects on electrical and photovoltaic properties of Aurivillius-type Srn-3Bi4TinO3n+3 (n = 3, 5) films grown by pulsed laser deposition.

Published in:

Journal of Materials Science: Materials in Electronics, 2022, v. 33, n. 33, p. 25318, doi. 10.1007/s10854-022-09238-x

By:

Cui, Ruirui;
Zhao, Xudong;
Ye, Yaosen;
Deng, Chaoyong

Publication type:

Article

Electron irradiation effects in Au thin films.

Published in:

Journal of Materials Science: Materials in Electronics, 2021, v. 32, n. 10, p. 13291, doi. 10.1007/s10854-021-05907-5

By:

de Oliveira, Franciele S. M.;
Nogueira, Maurício J.;
Fabrim, Zacarias E.;
Fichtner, Paulo F. P.

Publication type:

Article

Study of hydrogenation processes in radiation-resistant nitride ceramics.

Published in:

Journal of Materials Science: Materials in Electronics, 2020, v. 31, n. 14, p. 11227, doi. 10.1007/s10854-020-03671-6

By:

Kozlovskiy, A. L.;
Zdorovets, M. V.

Publication type:

Article

Novel orange phosphate phosphors Sr19Mg2(PO4)14:Eu2+: crystal structure, luminescence and thermal quenching property investigation.

Published in:

Journal of Materials Science: Materials in Electronics, 2020, v. 31, n. 9, p. 7164, doi. 10.1007/s10854-020-03287-w

By:

Wang, Chuang;
Li, Ying;
Zhou, Faguang;
Li, Zhuowei;
Jiang, Jing;
Zhu, Ge

Publication type:

Article

Thermal stability of an endohedrally doped aluminum nanoclusters: a BOMD study.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 9, p. 1, doi. 10.1007/s00214-021-02829-7

By:

Singh, Chandrodai Pratap;
Samal, Pragnya Paramita;
Krishnamurty, Sailaja

Publication type:

Article

Evaluation of the J-R curve for surface-cracked round bar by a semi-analytical method.

Published in:

Archive of Applied Mechanics, 2023, v. 93, n. 4, p. 1747, doi. 10.1007/s00419-022-02355-3

By:

He, Guangwei;
Cai, Lixun;
Bao, Chen

Publication type:

Article

MD simulation of atomic displacement cascades in pure iron vs. thermal radiation spectra produced by inert gas ions.

Published in:

Russian Physics Journal, 2024, v. 67, n. 12, p. 2355, doi. 10.1007/s11182-025-03385-4

By:

Dremov, V. V.;
Ovchinnikov, V. V.

Publication type:

Article

Structural damage of nanocrystalline Fe-10Ni-20Cr alloy at increasing radiation dose.

Published in:

Russian Physics Journal, 2024, v. 67, n. 12, p. 2185, doi. 10.1007/s11182-025-03363-w

By:

Zolnikov, K. P.;
Kryzhevich, D. S.;
Korchuganov, A. V.;
Berezikov, O. A.

Publication type:

Article

A Study of the Crystal Lattice Curvature Based on the Discrete Vector Field of Atomic Displacements.

Published in:

Russian Physics Journal, 2022, v. 65, n. 8, p. 1380, doi. 10.1007/s11182-023-02777-8

By:

Sukhanov, I. I.

Publication type:

Article

Existence result for a fluid structure interaction problem with friction type slip boundary condition.

Published in:

ZAMM -- Journal of Applied Mathematics & Mechanics / Zeitschrift für Angewandte Mathematik und Mechanik, 2015, v. 95, n. 8, p. 831, doi. 10.1002/zamm.201300301

By:

Baffico, L.;
Sassi, T.

Publication type:

Article

Size‐ and Temperature‐Dependent Lattice Anisotropy and Structural Distortion in CsPbBr3 Quantum Dots by Reciprocal Space X‐ray Total Scattering Analysis.

Published in:

Small Structures, 2024, v. 5, n. 3, p. 1, doi. 10.1002/sstr.202300264

By:

Bertolotti, Federica;
Dengo, Nicola;
Cervellino, Antonio;
Bodnarchuk, Maryna I.;
Bernasconi, Caterina;
Cherniukh, Ihor;
Berezovska, Yuliia;
Boehme, Simon C.;
Kovalenko, Maksym V.;
Masciocchi, Norberto;
Guagliardi, Antonietta

Publication type:

Article

Measurement of coherent vibrational dynamics with X-ray Transient Absorption Spectroscopy simultaneously at the Carbon K- and Chlorine L2,3- edges.

Published in:

Communications Physics, 2024, v. 7, n. 1, p. 1, doi. 10.1038/s42005-024-01794-4

By:

Ross, Andrew D.;
Hait, Diptarka;
Scutelnic, Valeriu;
Neumark, Daniel M.;
Head-Gordon, Martin;
Leone, Stephen R.

Publication type:

Article

Effects of variable specific heat on energy transfer in a high-temperature supersonic channel flow.

Published in:

Journal of Turbulence, 2018, v. 19, n. 5, p. 365, doi. 10.1080/14685248.2018.1441532

By:

Chen, Xiaoping;
Li, Xiaopeng;
Dou, Hua-Shu;
Zhu, Zuchao

Publication type:

Article

Ni3Sn4 and FeAl2 as vacancy variants of the W-type ("bcc") structure.

Published in:

Zeitschrift für Kristallographie. Crystalline Materials, 2023, v. 238, n. 9/10, p. 321, doi. 10.1515/zkri-2023-0021

By:

Leineweber, Andreas

Publication type:

Article

A novel crystallographic location of rattling atoms in filled EuxCo4Sb12 skutterudites prepared under high-pressure conditions.

Published in:

Zeitschrift für Kristallographie. Crystalline Materials, 2023, v. 238, n. 1/2, p. 47, doi. 10.1515/zkri-2022-0051

By:

Rodrigues, João Elias F. S.;
Gainza, Javier;
Serrano-Sánchez, Federico;
Nemes, Norbert M.;
Dura, Oscar J.;
Martínez, Jose Luis;
Alonso, Jose Antonio

Publication type:

Article

CoSO4·H2O and its continuous transition compared to the compression properties of isostructural kieserite-type polymorphs.

Published in:

Zeitschrift für Kristallographie. Crystalline Materials, 2021, v. 236, n. 10, p. 225, doi. 10.1515/zkri-2021-2038

By:

Wildner, Manfred;
Ende, Martin;
Meusburger, Johannes M.;
Kunit, Roland;
Matzinger, Philipp;
Talla, Dominik;
Miletich, Ronald

Publication type:

Article

Centrosymmetric LaRh2Ga2.

Published in:

Zeitschrift für Kristallographie. Crystalline Materials, 2020, v. 235, n. 1, p. 41, doi. 10.1515/zkri-2019-0074

By:

Seidel, Stefan;
Schubert, Lea;
Hoffmann, Rolf-Dieter;
Pöttgen, Rainer

Publication type:

Article

Synthesis and crystal structure of the new vanadate AgCaVO4: Comparison with the arcanite structure.

Published in:

Zeitschrift für Kristallographie. Crystalline Materials, 2017, v. 232, n. 10, p. 669, doi. 10.1515/zkri-2017-2041

By:

Nénert, Gwilherm

Publication type:

Article

Hexagonal paracrystals.

Published in:

Zeitschrift für Kristallographie. Crystalline Materials, 2015, v. 230, n. 1, p. 69, doi. 10.1515/zkri-2014-1732

By:

Welberry, Thomas Richard

Publication type:

Article

Pathway for a martensitic quartz–coesite transition.

Published in:

Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-54088-8

By:

Schaffrinna, Tim;
Milman, Victor;
Winkler, Björn

Publication type:

Article

Addendum to: Emerging patterns of New Physics with and without Lepton Flavour Universal contributions.

Published in:

European Physical Journal C -- Particles & Fields, 2020, v. 80, n. 6, p. 1, doi. 10.1140/epjc/s10052-020-8018-3

By:

Algueró, Marcel;
Capdevila, Bernat;
Crivellin, Andreas;
Descotes-Genon, Sébastien;
Masjuan, Pere;
Matias, Joaquim;
Novoa-Brunet, Martín;
Virto, Javier

Publication type:

Article

Charge density wave surface reconstruction in a van der Waals layered material.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-41500-6

By:

Lee, Sung-Hoon;
Cho, Doohee

Publication type:

Article

THE DISPLACEMENTS IN THE FRETTING PHENOMENON.

Published in:

Annals of 'Constantin Brancusi' University of Targu-Jiu. Engineering Series / Analele Universităţii Constantin Brâncuşi din Târgu-Jiu. Seria Inginerie, 2014, n. 4, p. 25

By:

Ghimiși, Stefan

Publication type:

Article

Video-based measurement for transverse vibrations of moving catenaries in mine hoist using mean shift tracking.

Published in:

Advances in Mechanical Engineering (Sage Publications Inc.), 2015, v. 7, n. 9, p. 1, doi. 10.1177/1687814015608073

By:

Yao, Jiannan;
Xiao, Xingming;
Chang, Hao

Publication type:

Article

Modelling of cation displacements in SrTiO3 by means of multi-energy anomalous X-ray diffuse scattering.

Published in:

Journal of Applied Crystallography, 2016, v. 49, n. 3, p. 1016, doi. 10.1107/S1600576716007147

By:

Kopecký, Miloš;
Fábry, Jan;
Kub, Jiří

Publication type:

Article

Structure evolution with Sr content of the perovskite-like materials La2-xSrxCoTiO6 (0 ⩽ x ⩽ 0.5).

Published in:

Journal of Applied Crystallography, 2014, v. 47, n. 2, p. 745, doi. 10.1107/S1600576714004907

By:

Gómez-Pérez, Alejandro;
Pérez-Flores, Juan Carlos;
Ritter, Clemens;
Boulahya, Khalid;
Castro, German R.;
García-Alvarado, Flaviano;
Amador, Ulises

Publication type:

Article

Approaches to modelling thermal diffuse scattering in triglycine sulfate, (NH2CH2COOH)3·H2SO4.

Published in:

Journal of Applied Crystallography, 2014, v. 47, n. 2, p. 544, doi. 10.1107/S1600576713034547

By:

Hudspeth, J. M.;
Goossens, D. J.;
Welberry, T. R.

Publication type:

Article

Complex Network Structure of Flocks in the Standard Vicsek Model.

Published in:

Journal of Statistical Physics, 2013, v. 153, n. 2, p. 270, doi. 10.1007/s10955-013-0827-4

By:

Baglietto, Gabriel;
Albano, Ezequiel V.;
Candia, Julián

Publication type:

Article

Plastic deformation mechanisms of ZnS and ZnTe under nanoindentation: molecular dynamics simulations.

Published in:

Journal of Molecular Modeling, 2025, v. 31, n. 3, p. 1, doi. 10.1007/s00894-025-06330-x

By:

Liu, Chunmei;
Xu, Chao;
Liu, Huaping

Publication type:

Article

Study on the modulation mechanism of the optoelectronic properties based on common electrode metal atom adsorption on graphene/MoTe2.

Published in:

Journal of Molecular Modeling, 2025, v. 31, n. 2, p. 1, doi. 10.1007/s00894-024-06268-6

By:

Li, Jiabin;
Yang, Nan;
Fan, Zenghui;
Wang, Jiang;
Lei, Yinghang

Publication type:

Article

Molecular dynamics study on the nanofriction and wear mechanism of transverse grain boundaries in nickel-based alloys.

Published in:

Journal of Molecular Modeling, 2025, v. 31, n. 1, p. 1, doi. 10.1007/s00894-024-06255-x

By:

Chen, Weihua;
Zhang, Shengbin;
Bian, Zhiao;
Zheng, Min;
Chen, Jiao;
Zhu, Zongxiao

Publication type:

Article

First-principles calculation of structural, electronic, optical, and mechanical properties of SrVO3.

Published in:

Journal of Molecular Modeling, 2024, v. 30, n. 8, p. 1, doi. 10.1007/s00894-024-06076-y

By:

Qiu, Zhi-Yuan;
Li, Wen-Guang;
Liu, Qi-Jun;
Liu, Zheng-Tang

Publication type:

Article

Effect of tensile deformation on the optoelectronic properties of black phosphine-doped lithium atoms.

Published in:

Journal of Molecular Modeling, 2024, v. 30, n. 3, p. 1, doi. 10.1007/s00894-024-05880-w

By:

Huang, Zenan;
Wang, Ying;
Wang, Congrui;
Liu, Guili;
Zhang, Guoying;
Niu, Jindong

Publication type:

Article

Effect of doping and defects on the optoelectronic properties of ZrSe2 based on the first principle.

Published in:

Journal of Molecular Modeling, 2023, v. 29, n. 12, p. 1, doi. 10.1007/s00894-023-05790-3

By:

Sun, Shihang;
Yang, Lu;
Bao, Jinlin;
Zhao, Yanshen;
Wei, Xingbin;
Liu, Huaidong;
Ni, Junjie;
Tang, Xinying

Publication type:

Article

Atomistic assessment of structural evolution for magnesium during hypervelocity nanoprojectile penetration.

Published in:

Journal of Molecular Modeling, 2022, v. 28, n. 11, p. 1, doi. 10.1007/s00894-022-05360-z

By:

Goswami, Pragyan;
Gupta, Manoj;
Pal, Snehanshu

Publication type:

Article

Molecular dynamics investigation of the thermal behaviors of magnesium oxide ceramics at different pressures and temperatures.

Published in:

Journal of Molecular Modeling, 2022, v. 28, n. 11, p. 1, doi. 10.1007/s00894-022-05302-9

By:

Hadian, Mahdieh;
Nilforoushan, Mohammad Reza;
Toghraie, Davood

Publication type:

Article

Three new inhibitors of class A β-lactamases evaluated by molecular docking and dynamics simulations methods: relebactam, enmetazobactam, and QPX7728.

Published in:

Journal of Molecular Modeling, 2022, v. 28, n. 4, p. 1, doi. 10.1007/s00894-022-05073-3

By:

Saral Sariyer, Ayşegül

Publication type:

Article

Structural Study of Polymorphism in [La(Gly)3·2H2O](ClO4)3.

Published in:

Journal of Chemical Crystallography, 2021, v. 51, n. 4, p. 491, doi. 10.1007/s10870-020-00871-0

By:

Knyazev, A. V.;
Alahmad, A. K.;
Somov, N. V.;
Knyazeva, S. S.;
Markin, A. V.

Publication type:

Article

Effective Mass Quantum Systems with Displacement Operator: Inverse Square Plus Coulomb-Like Potential.

Published in:

Few-Body Systems, 2015, v. 56, n. 10, p. 697, doi. 10.1007/s00601-015-1008-6

By:

Arda, Altuğ;
Sever, Ramazan

Publication type:

Article

Unraveling the electronic properties in SiO2 under ultrafast laser irradiation.

Published in:

NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01350-2

By:

Tsaturyan, Arshak;
Kachan, Elena;
Stoian, Razvan;
Colombier, Jean-Philippe

Publication type:

Article

Die Kristallstrukturen der Komplexe von 2,6-Dimethyl-γ-Pyron mit BF3, CuCl2 und HgCl2.

Published in:

Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2022, v. 77, n. 11/12, p. 785, doi. 10.1515/znb-2022-0127

By:

Engel, Günther;
Lissner, Falk;
Thomas Schleid

Publication type:

Article

The unexpected crystal structure of thallium(I) tricyanomethanide Tl[C(CN)3].

Published in:

Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2022, v. 77, n. 4/5, p. 237, doi. 10.1515/znb-2022-0006

By:

Reckeweg, Olaf;
Lissner, Falk;
Heitkämper, Juliane;
Kästner, Johannes;
Schleid, Thomas

Publication type:

Article

Dimorphism of MnHAsO4(H2O): natural monoclinic krautite and its synthetic triclinic modification.

Published in:

Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2022, v. 77, n. 4/5, p. 221, doi. 10.1515/znb-2021-0184

By:

Weil, Matthias;
Kolitsch, Uwe;
Stürzer, Tobias

Publication type:

Article

The UV-phosphor strontium fluorooxoborate Sr[B5O7F3]:Eu.

Published in:

Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2020, v. 75, n. 1/2, p. 143, doi. 10.1515/znb-2019-0174

By:

Schäfer, Martin J.;
Jantz, Stephan G.;
Höppe, Henning A.

Publication type:

Article

Performance Optimization of Centrifugal Pump for Crude Oil Delivery.

Published in:

Journal of Engineering Research, 2018, v. 15, n. 1, p. 88, doi. 10.24200/tjer.vol15iss1pp88-101

By:

Bellary, S. A. I.;
Husain, A.;
Samad, A.;
Kanai, R. A.

Publication type:

Article

Evaluation of Methods of Peak Runoff Determination using Catchment Characteristics for Jere Sub-basin, Gurara River Basin, North Central Nigeria.

Published in:

Journal of Engineering Research, 2018, v. 15, n. 1, p. 26, doi. 10.24200/tjer.vol.15iss1pp26-41

By:

Salami, A. W.;
Mudashiru, R. B.;
Bilewu, S. O.

Publication type:

Article

Vibrations of Circular Plates Resting on Elastic Foundation with Elastically Restrained Edge Against Translation.

Published in:

Journal of Engineering Research, 2018, v. 15, n. 1, p. 14, doi. 10.24200/tjer.vol15iss1pp14-25

By:

Rao, L. B.;
Rao, C. K.

Publication type:

Article