Antiphase boundaries (APBs) are ubiquitous in ordered Heusler alloys and strongly influence magnetic coercivity in Ni-Mn-Ga, yet the link between their atomic-scale exchange interactions and micrometer-scale magnetic contrast measured by magnetic force microscopy (MFM) remains unclear. We combine density functional theory (DFT) and finite-element magnetostatics to bridge these scales in Ni-Mn-Ga. DFT calculations on supercells containing planar APBs show that the lowest-energy configuration comprises a pair of parallel APBs enclosing a nanoscale region - only three Mn-Ga atomic layers thick - whose magnetization is antiparallel to the surrounding matrix due to strong antiferromagnetic exchange across each APB (in contrast to ferromagnetic coupling in bulk martensite). According to our magnetostatic finite element model, this thin region with antiparallel magnetization generates the characteristic MFM contrast extending approx. 100 nm from the APB pair. When the APBs are further apart than 50 nm, dipole-dipole penalties outweigh exchange gains, preventing formation of an extended antiparallel domain, in agreement with experimental evidence. These results identify APB pairs as the origin of the observed MFM contrast and offer an interpretation of the modest strengths of domain-wall pinning by APBs, informing the design of magnetic shape-memory alloys with tailored coercivity.
Quantitative strain-field measurement of 1:1 B-site cation ordered domains and antiphase boundaries in Pb(Sc1/2Ta1/2)O3 ceramics by high-resolution transmission electron microscopy
III-V antiphase boundaries are not generated by Si or Ge substrate step edges
Univ Rennes, INSA Rennes（雷恩大学，雷恩国立应用科学学院）；CNRS, Institut FOTON – UMR 6082（法国国家科学研究中心，FOTON研究所）；IES, University of Montpellier（蒙彼利埃大学，生态系统与可持续发展研究所）；CNRS（法国国家科学研究中心）；Univ Rennes, CNRS, IPR (Institut de Physique de Rennes)–UMR 6251（雷恩大学，法国国家科学研究中心，雷恩物理研究所）；C2N, University of Paris Saclay（巴黎萨克雷大学，纳米科学中心）；CNRS, UMR 9001（法国国家科学研究中心）
Bilinear Flexo-Antiferrodistortive Coupling in Ferroelastics: Polar Twins, Antiphase Boundaries and Fingerprints of Alterelectricity
Frantsevich Institute for Problems in Materials Science, National Academy of Sciences of Ukraine（乌克兰国家科学院弗兰采维奇材料科学问题研究所）；Institute of Physics of the National Academy of Sciences of Ukraine（乌克兰国家科学院物理研究所）；Department of Materials Science and Engineering, Pennsylvania State University（宾夕法尼亚州立大学材料科学与工程系）
Disorder-induced chirality in superconductor-ferromagnet heterostructures revealed by neutron scattering and multiscale modeling
European Spallation Source ERIC（欧洲散裂源）；Instituto de Física, Universidade de São Paulo（圣保罗大学物理研究所）；Department of Physics and Astronomy, Uppsala University（乌普萨拉大学物理与天文学系）；Faculdade de Física, Universidade Federal do Pará（帕拉联邦大学物理学院）；Jülich Centre for Neutron Science for Quantum Materials and Collective Phenomena (JCNS-2), Forschungszentrum Jülich GmbH（于利希研究中心于利希中子科学量子材料与集体现象中心）；Division of Synchrotron Radiation Research, Lund University（隆德大学同步辐射研究部）；Ernst Ruska-Centre (ER-C 2), Forschungszentrum Jülich GmbH（于利希研究中心恩斯特·鲁斯卡中心）；Institut Laue-Langevin（朗之万研究所）
Influence of temperature, initial grain-boundary bubble density and grain structure on fission gas behaviour in UO$_2$: a 3D hybrid multiscale study
University of Florida（佛罗里达大学）；Idaho National Laboratory（爱达荷国家实验室）；University of Tennessee（田纳西大学）；Los Alamos National Laboratory（洛斯阿拉莫斯国家实验室）；Lawrence Livermore National Laboratory（劳伦斯利弗莫尔国家实验室）
