文献arxiv2026-08-16http://creativecommons.org/licenses/by-nc-nd/4.0/
The discovery of altermagnetism has initiated intensive research and opened new avenues for spin- tronic and transport applications. While current efforts are mostly focused on bulk materials which are typically insulating, here we propose design strategies to achieve a combination of altermag- net…
source:arxiv: 2608.15765
文献arxiv2026-08-16http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Helium bubbles and grain boundaries in tungsten plasma-facing components alter hydrogen-isotope transport and thermal conduction by orders of magnitude, yet evaluating these transport properties for a given microstructure requires hours of molecular dynamics (MD) per configuration. We present a gra…
source:arxiv: 2608.15609
文献arxiv2026-08-16http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Data-driven materials discovery interpolates more reliably than it extrapolates and seldom reaches new structure types. We present MatEvolve, an agentic-AI framework designing crystals, proposing each candidate with a stated rationale and testing it. The agent reasons in an interpretable \emph{lang…
source:arxiv: 2608.15900
文献arxiv2026-08-16http://creativecommons.org/licenses/by/4.0/
Most computationally predicted materials are never synthesized because conventional synthesis optimization is slow, expertise-dependent, and iterative. Here we present a closed-loop framework that automates this expert workflow by placing human tacit knowledge in the loop through a large language m…
source:arxiv: 2608.15928
文献arxiv2026-08-16http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Despite the powerful multi-scale modeling methods and high-throughput infrastructures established in the materials community, real material computation workflows remain fragmented and heavily manual, requiring researchers to constantly bridge software tools, data analysis, and intermediate decision…
source:arxiv: 2608.15776
文献arxiv2026-08-16http://creativecommons.org/licenses/by/4.0/
Rare-earth chalcogenide perovskites have attracted significant attention for optoelectronic applications due to their nontoxic composition, robust phase stability, and excellent optoelectronic properties. However, their excitonic and polaronic properties remain largely unexplored due to the high co…
source:arxiv: 2608.15882
文献arxiv2026-08-16http://creativecommons.org/licenses/by/4.0/
Indentation experiments can be used to mimic real-life damage events of glasses that lead to surface flaws and thus lower practical strength. Conventional indentation studies often focus on the surface deformation after unloading. However, to understand the link between the surface deformation and…
source:arxiv: 2608.15675
文献arxiv2026-08-16http://arxiv.org/licenses/nonexclusive-distrib/1.0/
We show that FeSb2 experiences a transition from a conventional antiferromagnet to an altermagnet when tensile strain is applied. In the altermagnetic phase, the lifted Kramers degeneracy results in spin splitting up to ~0.2eV near the Fermi level even without spin-orbit coupling. The transition to…
source:arxiv: 2608.15839
文献arxiv2026-08-16http://creativecommons.org/licenses/by/4.0/
The Peltier effect induces a heat current when a charge current passes through a conductor. Since a charge current is conserved at the junction between two different conductors, the difference between the heat flowing in both conductors for the same charge current leads to heating or cooling of the…
source:arxiv: 2608.15596
文献arxiv2026-08-16http://creativecommons.org/licenses/by/4.0/
Downfolding ab initio material band structure into a low-energy subspace spanned by orbitals of specified atomic character, a procedure known as Wannier downfolding, is a common task in the simulation of complex materials. We introduce the Intrinsic Wannier Function (IWF) method to Wannierize bands…
source:arxiv: 2608.15557
文献arxiv2026-08-16http://creativecommons.org/licenses/by-nc-nd/4.0/
Hydrogen (H) and deuterium (D) interactions with transition metals play a central role in heterogeneous catalysis and hydrogen-related technologies. While H-Pt surface interactions have been extensively studied, direct investigations of hydrogen incorporation and transport in Pt remain limited due…
doi: 10.1016/j.actamat.2026.122531source:arxiv: 2608.15543
文献arxiv2026-08-16http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Point defects in atomically thin materials have a strong impact on physical properties and those that induce in-gap states are advantageous for quantum information science and engineering (QISE). However, dopant engineering consisting of well-controlled synthesis and robust identification of in-gap…
doi: 10.1021/acs.nanolett.6c02833source:arxiv: 2608.15551
文献openalex2026-08-16http://creativecommons.org/licenses/by-nc-sa/4.0/
Abstract We demonstrate that spatially engineered magnetic anisotropy can stabilize skyrmion and meron spin textures in magnetic nanodisks even in the absence of Dzyaloshinskii–Moriya interaction (DMI). Using a constrained analytical model and micromagnetic simulations, we show that competing perpe…
doi: 10.1021/acs.nanolett.6c01154source:arxiv: 2608.14983source:openalex: https://openalex.org/W7203588730
文献arxiv2026-08-16http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Composite media with complex microstructures exhibit highly tailorable mechanical properties but remain challenging to model efficiently and accurately. Conventional homogenization often oversimplifies microstructural effects, whereas multiscale approaches typically require costly coupling across s…
source:arxiv: 2608.15588
文献arxiv2026-08-16http://arxiv.org/licenses/nonexclusive-distrib/1.0/
The properties of He in diamond are of interest with respect to geological dating and the creation of color centers with possible quantum applications. We report on the lattice location of the short-lived ion implanted nuclear probe 6He (t1/2=807 ms) in diamond, which was performed using the beta e…
doi: 10.1103/1286-zbbbsource:arxiv: 2604.05951
文献arxiv2026-08-16http://arxiv.org/licenses/nonexclusive-distrib/1.0/
One-dimensional (1D) moiré superlattices provide a new route to engineering reduced-dimensional electronic states in van der Waals materials, yet their electronic structure and microscopic origin remain largely unexplored. Here, we investigate the structural relaxation and electronic properties of…
doi: 10.1103/bzwr-6m2dsource:arxiv: 2601.21228
文献openalex2026-08-15许可待确认
The reduced activation ferritic martensitic (RAF/M) EUROFER97 steel is the candidate structural material for the water-cooled lithium lead breeding blanket (WCLL-BB) section in the DEMO fusion reactor. Its performance under environmentally-assisted cracking (EAC) conditions was evaluated under simu…
source:openalex: https://openalex.org/W7204018493
文献openalex2026-08-15许可待确认
Metal enhanced fluorescence (MEF) offers enhanced sensitivity and signal-to-noise ratios, and has opened up many new applications of fluorescence. However, the demand for efficient and robust substrates capable of consistently amplifying fluorescence signals across different spectral regions remain…
source:openalex: https://openalex.org/W7203958072
文献openalex2026-08-15许可待确认
NMR spectra and ESI-MS data associated with A framework for accessing elusive intermediate-sized PdnL2n (n = 8, 9) metal-organic cages NMR spectra for ligands L1-L4 and cages 1-10 (1D, 2D, DOSY, VT) ESI-MS data for cages 1-10 NMR data for anion exchange experiments, solvent exchange experiments, an…
doi: 10.17639/nott.37108source:openalex: https://openalex.org/W7203913959
文献openalex2026-08-15许可待确认
Imágenes, gráficas, diagramas etc.
source:openalex: https://openalex.org/W7203808191