Works matching DE "CRYSTAL models"

Results: 511

Confocal Microscopy Confirmed that in Phosphatidylcholine Giant Unilamellar Vesicles with very High Cholesterol Content Pure Cholesterol Bilayer Domains Form.

Published in:

Cell Biochemistry & Biophysics, 2019, v. 77, n. 4, p. 309, doi. 10.1007/s12013-019-00889-y

By:

Raguz, Marija;
Kumar, Suresh N.;
Zareba, Mariusz;
Ilic, Nada;
Mainali, Laxman;
Subczynski, Witold K.

Publication type:

Article

Simultaneous Optimization of Crystal Plasticity Hardening Parameters: Simultaneous Optimization of Crystal Plasticity Hardening Parameters: Shimanek, Liu, and Beese.

Published in:

JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2025, v. 77, n. 1, p. 324, doi. 10.1007/s11837-024-06935-2

By:

Shimanek, John D.;
Liu, Zi-Kui;
Beese, Allison M.

Publication type:

Article

Linking Grain Size to Microscopic Hardening Laws in a Phenomenological Crystal Plasticity Model: A Finite Element Simulation Approach for 316L Stainless Steel.

Published in:

JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2024, v. 76, n. 9, p. 5408, doi. 10.1007/s11837-024-06738-5

By:

Kouachi, Khalil;
Belouchrani, Mohamed El Amine;
Bouchedjra, Moussa;
Belattar, Adel;
Ould Ouali, Mohand;
Kanit, Toufik

Publication type:

Article

Crystal Plasticity Model Analysis for the Macro-to-Micro Mechanical Behavior of Different Sub-Regions in a Marine Steel Weld.

Published in:

JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2024, v. 76, n. 5, p. 2438, doi. 10.1007/s11837-024-06462-0

By:

Wang, Bingying;
Wang, Ding;
Qin, Zhi;
Wang, Huai;
Feng, Tao;
Ma, Jialei;
Zou, Yukun;
Liu, Junjie;
Yang, Junze

Publication type:

Article

Evolutions of Microstructure and Crystallographic Texture in an Fe-1.2 wt.% Si Alloy After (A)Symmetric Warm Rolling and Annealing.

Published in:

JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2024, v. 76, n. 3, p. 1015, doi. 10.1007/s11837-023-06330-3

By:

Nguyen-Minh, Tuan;
Petrov, Roumen H.;
Cicalè, Stefano;
Kestens, Leo A. I.

Publication type:

Article

The Competition Between Deformation Twinning and Dislocation Slip in Deformed Face-Centered Cubic Metals.

Published in:

JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2022, v. 74, n. 10, p. 3799, doi. 10.1007/s11837-022-05437-3

By:

Jagatramka, Ritesh;
Daly, Matthew

Publication type:

Article

Predictive Crystal Plasticity Modeling of Single Crystal Nickel Based on First-Principles Calculations.

Published in:

JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2022, v. 74, n. 4, p. 1423, doi. 10.1007/s11837-022-05175-6

By:

Shimanek, John D.;
Qin, Shipin;
Shang, Shun-Li;
Liu, Zi-Kui;
Beese, Allison M.

Publication type:

Article

Surrogate Modeling of Viscoplasticity in Steels: Application to Thermal, Irradiation Creep and Transient Loading in HT-9 Cladding.

Published in:

JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2021, v. 73, n. 1, p. 126, doi. 10.1007/s11837-020-04402-2

By:

Tallman, Aaron E.;
Arul Kumar, M.;
Matthews, Christopher;
Capolungo, Laurent

Publication type:

Article

Machine Learning-Aided Parametrically Homogenized Crystal Plasticity Model (PHCPM) for Single Crystal Ni-Based Superalloys.

Published in:

JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2020, v. 72, n. 12, p. 4404, doi. 10.1007/s11837-020-04344-9

By:

Weber, George;
Pinz, Maxwell;
Ghosh, Somnath

Publication type:

Article

Heterogeneous Internal Strain Evolution in Commercial Purity Titanium Due to Anisotropic Coefficients of Thermal Expansion.

Published in:

JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2020, v. 72, n. 1, p. 39, doi. 10.1007/s11837-019-03743-x

By:

Zheng, Zebang;
Eisenlohr, Philip;
Bieler, T. R.;
Pagan, Darren C.;
Dunne, Fionn P. E.

Publication type:

Article

Crystal Plasticity Modeling of Void Growth on Grain Boundaries in Ni-Based Superalloys.

Published in:

JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2019, v. 71, n. 11, p. 3859, doi. 10.1007/s11837-019-03694-3

By:

Chen, Tianju;
Sakidja, Ridwan;
Ching, Wai-Yim;
Zhou, Caizhi

Publication type:

Article

Validity of Crystal Plasticity Models Near Grain Boundaries: Contribution of Elastic Strain Measurements at Micron Scale.

Published in:

JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2019, v. 71, n. 10, p. 3543, doi. 10.1007/s11837-019-03711-5

By:

Plancher, Emeric;
Tajdary, Pouya;
Auger, Thierry;
Castelnau, Olivier;
Favier, Véronique;
Loisnard, Dominique;
Marijon, Jean-Baptiste;
Maurice, Claire;
Michel, Vincent;
Robach, Odile;
Stodolna, Julien

Publication type:

Article

Local Ratcheting Phenomena in the Cyclic Behavior of Polycrystalline Tantalum.

Published in:

JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2019, v. 71, n. 8, p. 2586, doi. 10.1007/s11837-019-03539-z

By:

Colas, Damien;
Finot, Eric;
Flouriot, Sylvain;
Forest, Samuel;
Mazière, Matthieu;
Paris, Thomas

Publication type:

Article

Dependence of the Elastic Stiffness Tensors of PETN, α‐RDX, γ‐RDX, ϵ‐RDX, ϵ‐CL‐20, DAAF, FOX‐7, and β‐HMX on Hydrostatic Compression.

Published in:

Propellants, Explosives, Pyrotechnics, 2022, v. 47, n. 4, p. 1, doi. 10.1002/prep.202100281

By:

Cawkwell, Marc J.;
Zecevic, Milovan;
Luscher, D. J.;
Ramos, Kyle J.

Publication type:

Article

Modeling Microstructural Effects on Heterogeneous Temperature Fields within Polycrystalline Explosives.

Published in:

Propellants, Explosives, Pyrotechnics, 2021, v. 46, n. 5, p. 713, doi. 10.1002/prep.202000282

By:

Mohan, Nisha;
Luscher, Darby J.;
Cawkwell, Marc J.;
Addessio, F. L.;
Ramos, Kyle J.

Publication type:

Article

Interpreting Experimental Results from Shock Impacts on Single Crystal PETN in the Context of Continuum Models.

Published in:

Propellants, Explosives, Pyrotechnics, 2020, v. 45, n. 2, p. 284, doi. 10.1002/prep.201900228

By:

Luscher, Darby J.;
Cawkwell, Marc J.;
Ramos, Kyle J.;
Sandberg, Richard L.;
Bolme, Cynthia A.

Publication type:

Article

Crystal growth of La2SrB10O19 from undercooled melt.

Published in:

Journal of Thermal Analysis & Calorimetry, 2021, v. 146, n. 4, p. 1569, doi. 10.1007/s10973-020-10122-1

By:

Smiljanić, Sonja V.;
Grujić, Snežana R.;
Matijašević, Srđan;
Stojanović, Jovica;
Nikolić, Jelena;
Savić, Veljko;
Popović, Daniela Ž.

Publication type:

Article

Understanding the hydride precipitation mechanism in HCP Zr polycrystals: a micromechanical approach.

Published in:

Journal of Materials Science, 2025, v. 60, n. 14, p. 6254, doi. 10.1007/s10853-025-10796-8

By:

Liu, Yang;
Wenman, Mark R.;
Davies, Catrin M.;
Dunne, Fionn P. E.

Publication type:

Article

Dark energy in crystals: prediction of stored energy in polycrystalline aggregates.

Published in:

Journal of Materials Science, 2024, v. 59, n. 12, p. 5201, doi. 10.1007/s10853-024-09442-6

By:

Phalke, Vikram;
Forest, Samuel;
Chang, Hyung-Jun;
Rose, Tonya;
Roos, Arjen

Publication type:

Article

Crystal plasticity finite element study of tension-induced anisotropic contraction of additively manufactured Haynes 282.

Published in:

Journal of Materials Science, 2024, v. 59, n. 12, p. 4978, doi. 10.1007/s10853-023-09076-0

By:

Nandi, Indrajit;
Ahmad, Nabeel;
Tilson, William G.;
Wang, Jian;
Shamsaei, Nima;
Shao, Shuai

Publication type:

Article

Evaluating shock sensitivity and decomposition of energetic materials by ReaxFF molecular dynamics.

Published in:

Journal of Materials Science, 2024, v. 59, n. 1, p. 114, doi. 10.1007/s10853-023-09179-8

By:

Jiang, Jun;
Xia, Qi-Ying;
Xu, Si-Yu;
Zhao, Feng-Qi;
Ju, Xue-Hai

Publication type:

Article

Molecular dynamics study on the effect of Ni atoms on the crack arrest performance of Fe–Ni alloy.

Published in:

Materials & Corrosion / Werkstoffe und Korrosion, 2022, v. 73, n. 11, p. 1879, doi. 10.1002/maco.202213229

By:

Yang, Chao;
Deng, Gonglin;
Xing, Xiao;
Han, Qing;
Liu, Haibo

Publication type:

Article

Synthesis of 1-(2-Fluorophenyl)pyrazoles by 1,3-Dipolar Cycloaddition of the Corresponding Sydnones.

Published in:

Molecules, 2021, v. 26, n. 12, p. 3693, doi. 10.3390/molecules26123693

By:

Dumitrescu, Denisa;
Shova, Sergiu;
Draghici, Constantin;
Popa, Marcel Mirel;
Dumitrascu, Florea

Publication type:

Article

Design and Biological Evaluation of Colchicine-CD44-Targeted Peptide Conjugate in an In Vitro Model of Crystal Induced Inflammation.

Published in:

Molecules, 2020, v. 25, n. 1, p. 46, doi. 10.3390/molecules25010046

By:

Zoghebi, Khalid A.;
Bousoik, Emira;
Parang, Keykavous;
Elsaid, Khaled A.

Publication type:

Article

Non-Covalent Interactions in α- and β-Imidazole Structures.

Published in:

Journal of Structural Chemistry, 2025, v. 66, n. 1, p. 97, doi. 10.1134/S0022476625010093

By:

Karasev, M. O.;
Karaseva, I. N.;
Pushkin, D. V.;
Kurbatova, S. V.

Publication type:

Article

STRUCTURAL FEATURES AND CATALYTIC PROPERTIES OF AgFeO2 BINARY OXIDE IN THE СО OXIDATION REACTION.

Published in:

Journal of Structural Chemistry, 2022, v. 63, n. 9, p. 1496, doi. 10.1134/S0022476622090116

By:

Svintsitskiy, D. A.;
Metal'nikova, V. M.;
Cherepanov, S. V.;
Boronin, A. I.

Publication type:

Article

Structure of palladium quinoline-8-selenolate Pd(C9H6NSe)2.

Published in:

Chemistry of Heterocyclic Compounds, 2006, v. 42, n. 3, p. 352, doi. 10.1007/s10593-006-0092-4

By:

Silina, E.;
Ashaks, J.;
Belyakov, S.;
Pech, L.;
Bankovsky, Yu.

Publication type:

Article

A Model for Crystal Growth of Solid Solutions in the InAs–GaAs System by a Modified Floating-Zone Technique.

Published in:

Inorganic Materials, 2019, v. 55, n. 3, p. 205, doi. 10.1134/S0020168519030014

By:

Agamaliyev, Z. A.;
Ramazanov, M. A.;
Azhdarov, G. Kh.

Publication type:

Article

The effect of context-based close packing supported with the 3D-virtual model of crystals structure on students' achievement and attitude.

Published in:

Chemistry Teacher International, 2023, v. 5, n. 3, p. 311, doi. 10.1515/cti-2022-0047

By:

Eticha, Ayalew Temesgen;
Amde, Meseret;
Bogale, Yiheyis;
Bekana, Deribachew

Publication type:

Article

Deep learning generative model for crystal structure prediction.

Published in:

NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01443-y

By:

Luo, Xiaoshan;
Wang, Zhenyu;
Gao, Pengyue;
Lv, Jian;
Wang, Yanchao;
Chen, Changfeng;
Ma, Yanming

Publication type:

Article

A deep generative modeling architecture for designing lattice-constrained perovskite materials.

Published in:

NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01381-9

By:

Chenebuah, Ericsson Tetteh;
Nganbe, Michel;
Tchagang, Alain Beaudelaire

Publication type:

Article

A structure translation model for crystal compounds.

Published in:

NPJ Computational Materials, 2023, v. 9, n. 1, p. 1, doi. 10.1038/s41524-023-01094-5

By:

Kim, Sungwon;
Noh, Juhwan;
Jin, Taewon;
Lee, Jaewan;
Jung, Yousung

Publication type:

Article

Improvement in positional accuracy of neural-network predicted hydration sites of proteins by incorporating atomic details of water-protein interactions and site-searching algorithm.

Published in:

Biophysics & Physicobiology, 2025, v. 22, n. 1, p. 1, doi. 10.2142/biophysico.bppb-v22.0004

By:

Kochi Sato;
Masayoshi Nakasako

Publication type:

Article

Prediction of a model crystal structure for Ni2F5 by first-principles calculations.

Published in:

Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2022, v. 77, n. 6, p. 469, doi. 10.1515/znb-2022-0072

By:

Lindič, Tilen;
Sinha, Shreya;
Mattsson, Stefan;
Paulus, Beate

Publication type:

Article

Crystal structure of caspase-11 CARD provides insights into caspase-11 activation.

Published in:

Cell Discovery, 2020, v. 6, n. 1, p. N.PAG, doi. 10.1038/s41421-020-00201-w

By:

Liu, Muziying;
Zhou, Kang;
Xu, Zhihao;
Ma, Huan;
Cao, Xiaocong;
Yin, Xueying;
Zeng, Weihong;
Zahid, Ayesha;
Fu, Sicheng;
Ni, Kang;
Ye, Xiaodong;
Zhou, Ying;
Bai, Li;
Zhou, Rongbin;
Jin, Tengchuan

Publication type:

Article

Efficient structure‐factor modeling for crystals with multiple components.

Published in:

Acta Crystallographica. Section A, Foundations & Advances, 2023, v. 79, n. 4, p. 345, doi. 10.1107/S205327332300356X

By:

Afonine, Pavel V.;
Adams, Paul D.;
Urzhumtsev, Alexandre G.

Publication type:

Article

Indexing of grazing‐incidence X‐ray diffraction patterns: the case of fibre‐textured thin films.

Published in:

Acta Crystallographica. Section A, Foundations & Advances, 2018, v. 74, n. 4, p. 373, doi. 10.1107/S2053273318006629

By:

Simbrunner, Josef;
Simbrunner, Clemens;
Schrode, Benedikt;
Röthel, Christian;
Bedoya-Martinez, Natalia;
Salzmann, Ingo;
Resel, Roland

Publication type:

Article

Approaches to modelling the shape of nanocrystals.

Published in:

Nano Convergence, 2021, v. 8, n. 1, p. 1, doi. 10.1186/s40580-021-00275-6

By:

Boukouvala, Christina;
Daniel, Joshua;
Ringe, Emilie

Publication type:

Article

Micromechanical modeling of polycrystalline high manganese austenitic steel subjected to abrasive contact.

Published in:

Friction (2223-7704), 2020, v. 8, n. 3, p. 626, doi. 10.1007/s40544-019-0315-1

By:

Lindroos, Matti;
Laukkanen, Anssi;
Andersson, Tom

Publication type:

Article

Real-Time Atomic Scale Kinetics of a Dynamic Event in a Model Ionic Crystal.

Published in:

Minerals (2075-163X), 2023, v. 13, n. 9, p. 1226, doi. 10.3390/min13091226

By:

Kalita, Pat;
Specht, Paul E.;
Brown, Justin L.;
Pacheco, Lena M.;
Usher, Josh M.;
Seagle, Christopher T.

Publication type:

Article

Regeneration Growth as One of the Principal Stages of Diamond Crystallogenesis.

Published in:

Minerals (2075-163X), 2022, v. 12, n. 3, p. 327, doi. 10.3390/min12030327

By:

Klepikov, Igor V.;
Vasilev, Evgeny A.;
Antonov, Anton V.

Publication type:

Article

Zoisite-(Pb), a New Orthorhombic Epidote-Related Mineral from the Jakobsberg Mine, Värmland, Sweden, and Its Relationships with Hancockite.

Published in:

Minerals (2075-163X), 2022, v. 12, n. 1, p. 51, doi. 10.3390/min12010051

By:

Perchiazzi, Natale;
Mauro, Daniela;
Vignola, Pietro;
Zaccarini, Federica;
Eldjarn, Knut

Publication type:

Article

Ionisation of atoms determined by kappa refinement against 3D electron diffraction data.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-53448-2

By:

Suresh, Ashwin;
Yörük, Emre;
Cabaj, Małgorzata K.;
Brázda, Petr;
Výborný, Karel;
Sedláček, Ondřej;
Müller, Christian;
Chintakindi, Hrushikesh;
Eigner, Václav;
Palatinus, Lukáš

Publication type:

Article

Revealing the hidden structure of disordered materials by parameterizing their local structural manifold.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-48449-0

By:

Hardin, Thomas J.;
Chandross, Michael;
Meena, Rahul;
Fajardo, Spencer;
Giovanis, Dimitris;
Kevrekidis, Ioannis;
Falk, Michael L.;
Shields, Michael D.

Publication type:

Article

A Global Comparison of the Human and T. brucei Degradomes Gives Insights about Possible Parasite Drug Targets.

Published in:

PLoS Neglected Tropical Diseases, 2012, v. 6, n. 12, p. 1, doi. 10.1371/journal.pntd.0001942

By:

Mashiyama, Susan T.;
Koupparis, Kyriacos;
Caffrey, Conor R.;
McKerrow, James H.;
Babbitt, Patricia C.

Publication type:

Article

Computational and analytical studies of a new nonlocal phase-field crystal model in two dimensions.

Published in:

Mathematical Models & Methods in Applied Sciences, 2024, v. 34, n. 11, p. 2099, doi. 10.1142/S0218202524500441

By:

Du, Qiang;
Wang, Kai;
Yang, Jiang

Publication type:

Article

Elasto-plastic evolution of single crystals driven by dislocation flow.

Published in:

Mathematical Models & Methods in Applied Sciences, 2022, v. 32, n. 5, p. 851, doi. 10.1142/S0218202522500191

By:

Hudson, Thomas;
Rindler, Filip

Publication type:

Article

晶态PDINH光催化剂基态及激发态的第一性原理计算.

Published in:

Basic Sciences Journal of Textile Universities / Fangzhi Gaoxiao Jichu Kexue Xuebao, 2023, v. 36, n. 3, p. 21, doi. 10.13338/j.issn.1006-8341.2023.03.004

By:

张梦源;
朱炜;
王嘉伟;
车远军;
袁双平;
刘斌;
李庆

Publication type:

Article

Specific interaction of zinc finger protein Com with RNA and the crystal structure of a self-complementary RNA duplex recognized by Com.

Published in:

PLoS ONE, 2019, v. 14, n. 4, p. 1, doi. 10.1371/journal.pone.0214481

By:

Nowacka, Martyna;
Fernandes, Humberto;
Kiliszek, Agnieszka;
Bernat, Agata;
Lach, Grzegorz;
Bujnicki, Janusz M.

Publication type:

Article

Fabrication of Three-Dimensional Micro Photonic Crystals of Resin-Incorporating TiO2 Particles and their Terahertz Wave Properties.

Published in:

Journal of the American Ceramic Society, 2007, v. 90, n. 1, p. 92, doi. 10.1111/j.1551-2916.2006.01377.x

By:

Chen, Weiwu;
Kirihara, Soshu;
Miyamoto, Yoshinari

Publication type:

Article