Authors: Music, Denis, Khayyamifar, Sana, Hektor, Johan
Subject Terms: ZrNiSn, Thermoelectrics, Thermal shock, Density functional theory, Materials Engineering, Materialteknik
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Relation: Computational materials science, 0927-0256, 2023, 230; orcid:0000-0003-2303-3676; orcid:0000-0001-7576-0387; orcid:0000-0003-3454-2660; http://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-63082; ISI:001097365700001; Scopus 2-s2.0-85172680437
Authors: Gericke, Sabrina M., Kauppinen, Minttu M., Wagner, Margareta, Riva, Michele, Franceschi, Giada, Posada-Borbón, Alvaro, Rämisch, Lisa, Pfaff, Sebastian, Rheinfrank, Erik, Imre, Alexander M., Preobrajenski, Alexei B., Appelfeller, Stephan, Blomberg, Sara, Merte, Lindsay R., Zetterberg, Johan, Diebold, Ulrike, Grönbeck, Henrik, Lundgren, Edvin
Subject Terms: CO2 adsorption, X-ray photoelectron spectroscopy, core-level shifts, density functional theory, heterogeneous catalysis, indium oxide, methanol synthesis, Other Physics Topics, Annan fysik
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Relation: ACS Applied Materials and Interfaces, 1944-8244, 2023, 15:38, s. 45367-45377; orcid:0000-0003-1373-6968; orcid:0000-0001-8721-3719; orcid:0000-0001-9414-1696; orcid:0000-0001-8303-7383; orcid:0000-0003-3525-5399; orcid:0000-0002-5245-099X; orcid:0000-0002-8528-9362; orcid:0000-0003-1805-1511; orcid:0000-0002-9444-7844; orcid:0000-0001-7315-3305; orcid:0000-0002-6475-013X; orcid:0000-0002-3213-4199; orcid:0000-0002-0882-1482; orcid:0000-0003-0319-5256; orcid:0000-0002-8709-2889; orcid:0000-0002-3692-6142; http://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-63126; PMID 37704018; ISI:001067223600001; Scopus 2-s2.0-85172712712
Authors: Olsson, Pär A T, Awala, Ibrahim, Holmberg-Kasa, Jacob, Krause, Andreas M., Tidefelt, Mattias, Vigstrand, Oscar, Music, Denis
Subject Terms: thermal expansion coefficient, nanocrystalline metals, molecular dynamics modeling, density functional theory modelling, Materials Engineering, Materialteknik
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Relation: Materials, 1996-1944, 2023, 16:14; orcid:0000-0002-7606-1673; orcid:0000-0002-0043-9545; orcid:0000-0003-2303-3676; http://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-61752; ISI:001039051900001; Scopus 2-s2.0-85166201596
Authors: Olsson, Pär A T
Subject Terms: Zirconium hydride, Titanium hydride, Thermo-elasticity, Ab initio density functional theory, Condensed Matter Physics, Den kondenserade materiens fysik, Applied Mechanics, Teknisk mekanik
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Relation: Computational materials science, 0927-0256, 2023, 218; orcid:0000-0002-7606-1673; http://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-56519; ISI:000990135900001; Scopus 2-s2.0-85143725005
Subject Terms: Hydrogen embrittlement, Hydrogen diffusion, Carbides, Density functional theory, Nudged elastic band method, Condensed Matter Physics, Den kondenserade materiens fysik, Metallurgy and Metallic Materials, Metallurgi och metalliska material
File Description: application/pdf
Relation: Computational materials science, 0927-0256, 2023, 218; orcid:0000-0002-0043-9545; orcid:0000-0002-7606-1673; orcid:0000-0003-2303-3676; orcid:0000-0002-7952-5330; http://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-56883; ISI:000910929000001; Scopus 2-s2.0-85144276997
Authors: Oernek, Cem, Zhang, Fan, Larsson, Alfred, Mansoor, Mubashir, Harlow, Gary S., Kroll, Robin, Carla, Francesco, Hussain, Hadeel, Engelberg, Dirk L., Derin, Bora, Pan, Jinshan
Subject Terms: Passive film, Cathodic polarization, Super duplex stainless steel, Hydrogen embrittlement, Ab-initio density-functional theory, FactSage thermodynamics, Condensed Matter Physics, Den kondenserade materiens fysik
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Relation: Applied Surface Science, 0169-4332, 2023, 628; orcid:0000-0002-8932-8381; orcid:0000-0001-8097-8823; orcid:0000-0001-8414-9934; http://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-60886; ISI:000994106200001; Scopus 2-s2.0-85154018679
Authors: Zhang, Chu, Wang, Baochang, Hellman, Anders, Shipilin, Mikhail, Schaefer, Andreas, Merte, Lindsay R., Blomberg, Sara, Wang, Xueting, Carlsson, Per-Anders, Lundgren, Edvin, Weissenrieder, Jonas, Resta, Andrea, Mikkelsen, Anders, Andersen, Jesper N., Gustafson, Johan
Subject Terms: Rhodium, Steps, Catalysis, CO Oxidation, X-Ray photoelectron spectroscopy, Density functional theory, Materials Chemistry, Materialkemi, Physical Chemistry, Fysikalisk kemi, Materials Engineering, Materialteknik
File Description: application/pdf
Relation: Surface Science, 0039-6028, 2022, 715; orcid:0000-0002-3213-4199; http://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-46810; ISI:000705872400002; Scopus 2-s2.0-85115890290
Subject Terms: Tungsten, Molecular statics, Fracture mechanisms, Grain-boundary cohesion, Critical stress intensity factor, Density functional theory, Applied Mechanics, Teknisk mekanik, Metallurgy and Metallic Materials, Metallurgi och metalliska material, Condensed Matter Physics, Den kondenserade materiens fysik
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Relation: Computational materials science, 0927-0256, 2022, 207, s. 1-18; orcid:0000-0002-7287-9937; orcid:0000-0001-6525-8385; orcid:0000-0001-7430-3694; orcid:0000-0002-7606-1673; http://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-50429; ISI:000789987900002
Authors: Music, Denis, Krause, Andreas M., Olsson, Pär A T
Subject Terms: NbO2, thin films, sputtering, density functional theory, electrical properties, thermal properties, mechanical properties, Condensed Matter Physics, Den kondenserade materiens fysik
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Relation: Crystals, 2073-4352, 2021, 11:2; orcid:0000-0003-2303-3676; orcid:0000-0002-0043-9545; orcid:0000-0002-7606-1673; http://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-40840; ISI:000622439200001; Scopus 2-s2.0-85102117044
Authors: Mirzai, Amin, Ahadi, Aylin, Melin, Solveig, Olsson, Pär A T
Subject Terms: Monoclinic, Density functional theory, Rare-earth doping, Elastic moduli, Debye temperature, Heat capacity, Condensed Matter Physics, Den kondenserade materiens fysik
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Relation: Mechanics of materials (Print), 0167-6636, 2021, 154; orcid:0000-0002-7606-1673; http://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-39103; ISI:000612546000001
Authors: Music, Denis, Chang, Keke
Subject Terms: TiNiSn, Oxidation, Thermoelectrics, Thermodynamics, Density functional theory, Condensed Matter Physics, Den kondenserade materiens fysik
File Description: application/pdf
Relation: Computational materials science, 0927-0256, 2021, 198; orcid:0000-0003-2303-3676; http://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-44307; ISI:000690580400005
Authors: Olsson, Pär A T, Bergvall, Erik
Subject Terms: Adhesion, Polyethylene, Alumina, Molecular dynamics, Density functional theory, Textile, Rubber and Polymeric Materials, Textil-, gummi- och polymermaterial, Applied Mechanics, Teknisk mekanik
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Relation: Computational materials science, 0927-0256, 2021, 187; orcid:0000-0002-7606-1673; http://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-28094; ISI:000600373200005
Authors: Al-Hussein, Hussein
Subject Terms: Alpha-iron, Chromium carbide, Cr7C3, Fe, Theoretical investigation, Orthorhombic, X-ray diffraction pattern, XRD, VASP, VESTA, Body-centered-cubic, Ferrite, Density functional theory, DFT, Surface relaxation, Simulation, Calculation, Energy relaxation, Slab models, Coherency, Surface energy, Interfacial energy, Alfa-järn, Kromkarbid, Teoretisk undersökning, Ortorombisk, Röntgendiffraktion, Ytenergi, Koherent, Simulering
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Availability: http://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-60967
Authors: Olsson, Pär, Blomqvist, Jakob
Subject Terms: Tungsten, Grain boundary, Phosphorus, Density functional theory, Natural Sciences, Naturvetenskap
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Relation: Computational materials science, 0927-0256, 2017, 139, s. 368-378; orcid:0000-0002-7606-1673; http://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-15984; ISI:000411749000045; Local 23298
Authors: Hyldgaard, Per, Berland, Kristian, Schröder, Elsebeth
Subject Terms: van der Waals forces, Quantum Chemistry, Density Functional Theory, vdW-DF, Sparse matter interactions, Natural Sciences, Naturvetenskap
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Relation: Physical Review B. Condensed Matter and Materials Physics, 1098-0121, 2014, 90:7; http://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-2280; ISI:000341268900001; Local 19537