uFlowCSP: Crystal Structure Prediction using Mean flow generative modelsCrystal structure prediction (CSP) is fundamental to computational materials discovery. Generative models including CDVAE, DiffCSP, FlowMM, and CrystalFlow learn stable-crystal distributions…Sourin Dey, Dipannoy Das Gupta, Lai Wei et al.·Sep 9, 2026SaveLearn
Facile hBN-hBN Interfacial Overlap Engineering for Enhanced Quantum Emitter FormationQuantum emitters in two-dimensional materials, particularly hBN, are promising platforms for quantum technologies. However, achieving high-density emitters at predetermined locations while preserving…Nhat Minh Nguyen, Trung Vuong Doan, Md Shakhawath Hossain et al.·Sep 9, 2026SaveLearn
Morphology and depletion force-based large-scale self-assembly of nanocubes on surfaceSelf-assembling nanoparticles is a highly efficient and facile way to form functional nano-, micro- and macrostructures. However, currently available methods lack precision and controllability in…Yeonhee Lee, Seungsang Cha, Yuna Kwak et al.·Sep 9, 2026SaveLearn
First-principles investigation of structural, mechanical, vibrational, thermal, electronic and optical properties of Na3Bi: a topological Dirac semimetalExploring the properties of topological materials has remained an active area of research in condensed matter physics for the past few decades. Here, we present a first-principles investigation of…Maisha Fahmida, Syed Shovon Mahbub Mahin, Suptajoy Barua et al.·Sep 9, 2026SaveLearn
Automated Generation of Commensurate Magnetic Structures based on Spin Space Groups and Graph TheoryMagnetic structures with symmetry constraints are candidates for energetically favorable configurations. Enumerating these structures is essential for identifying experimental observations and…Yifan Wang, Boyang Deng, John Robertson et al.·Sep 9, 2026SaveLearn
Twist and strain identification in moiré heterostructuresThe geometrical and electronic properties of moiré materials are highly sensitive to the twist and strain in the samples due to the moiré magnifying effect. Accurate identification of twist and…Zhen Zhan, Federico Escudero, Dong Wang et al.·Sep 9, 2026SaveLearn
Heteroepitaxial Growth of PbSe on InP Substrates via Lattice-Matched III-V Buffer LayersDetector cost remains a barrier to the widespread adoption of mid-wave infrared (3-5 micron) technology. PbSe, an inexpensive narrow band gap IV-VI semiconductor that has been used since the early…Biridiana Rodriguez, Mark Martino, Brody Yeung et al.·Sep 9, 2026SaveLearn
An encoded asymmetric ligand for metal-selective topological assembly of two-dimensional metal-organic frameworksTwo-dimensional metal-organic frameworks (2D MOFs), with diverse topological architectures, provide a powerful platform for exploring unconventional electronic and lattice-dynamical responses. Yet…Huimin Qi, Jinkun Guo, Xinyan Wu et al.·Sep 9, 2026SaveLearn
Composition and Surface Termination Control Band Alignments in P3HT/Perovskite HeterostructuresHybrid organic-inorganic perovskite heterostructures are emerging platforms for energy conversion and optoelectronic devices, yet the effects of composition and surface terminations on band alignment…Somayyeh Alidoust, V. Ongun Özçelik·Sep 9, 2026SaveLearn
Light-Driven Ultrafast Control of Time-Reversal Symmetry in SrTiO3Light-driven control of material symmetry enables the engineering of phenomena forbidden in equilibrium. Although electromagnetic fields have been used to break time-reversal symmetry, its dynamic…In Hyeok Choi, Sergei Urazhdin, Shivasheesh Varshney et al.·Sep 8, 2026SaveLearn
High-pressure elastic properties of GeO2 polymorphs up to 120 GPaWe systematically investigated the phase stability and pressure dependence of the elastic properties of four GeO2 polymorphs: rutile-, CaCl2-, alpha-PbO2-, and pyrite-type phases using theoretical…Gulshan Kumar, Sumit Ghosh, Sharad Babu Pillai et al.·Sep 8, 2026SaveLearn
Phase stability and mechanical response of Ag-interlayered Al/Cu resistance spot-welded jointsDissimilar Al/Cu joints are essential to battery-pack assemblies; however, their mechanical strength is limited by brittle Al-Cu intermetallic compounds (IMCs) such as Al2Cu and Al4Cu9. Interlayer…Shuang Lin, Kyubok Lee, Jiahui Ye et al.·Sep 8, 2026SaveLearn
Implicit size dependence of the valence electron concentration criterion in high-entropy alloysThe valence electron concentration (VEC) is the most widely used predictor of FCC against BCC stability in high-entropy alloys (HEAs), yet it is a compositional average carrying no information about…Dennis Boakye, Chuang Deng·Sep 8, 2026SaveLearn
The energetics of force errors in machine-learned molecular dynamicsThe energetic effect of a force error depends on atomic motion. We establish a directional residual-work coefficient combining directional curvature mismatch with the spatial distribution of the…Peng Kang, Da Wan, Shulin Bai et al.·Sep 8, 2026SaveLearn
Pressure Dependence of Ferromagnetism in Uranium Hydride UH3 up to 20 GPa Revealed by NV Centers MagnetometryThe origin of ferromagnetism in the stable β-UH3 phase is still debated. With a high Curie temperature and a short uranium-uranium interatomic distance, β-UH3 is placed outside the known…Valentin Schmidt, Loïc Toraille, Florent Occelli et al.·Sep 8, 2026SaveLearn
Pulse-Burst Excitation Reveals Time-Dose Reciprocity Breakdown in Mixed-Halide PerovskitesTime-dose reciprocity, commonly associated with the Bunsen-Roscoe law, states that the response of a photosensitive system depends only on the total exposure dose, regardless of how that energy is…Alexandr Marunchenko, Shivam Singh, Daniel Lizotte et al.·Sep 8, 2026SaveLearn
Polymorph Engineering of the Layered Rare-Earth Magnet GdAlGeThe recent advances in research on layered magnets have established them as invaluable materials for spintronic applications and precursors to 2D magnets. The problem is that the number of such…Dmitry V. Averyanov, Ivan S. Sokolov, Alexander N. Taldenkov et al.·Sep 8, 2026SaveLearn
The Hidden Cost of Alloying: Disorder-Driven Transport Collapse in TMDsAlloying in two dimensional semiconductors is widely used to tune bandgaps, yet its implications for charge and energy transport remain poorly understood. Here, we investigate MoS2xSe2(1-x) alloys as…Michele Pisarra, Clara Rebanal, Enrique Arévalo Rodríguez et al.·Sep 8, 2026SaveLearn
Phonon-Programmable Hidden Unconventional Magnetism in Two-Dimensional Spin-Degenerate AntiferromagnetsSpin-degenerate antiferromagnets can host hidden unconventional magnetism in their lattice degrees of freedom. We show that coherent phonons activate this magnetism by removing the spin-layer…Xiaonong Shen, Cheng Tang, Wei Ren·Sep 8, 2026SaveLearn
Thermal response of an in-situ STEM MEMS chip under rapid pulse heatingIn-situ rapid solidification studies demand measurements of thermal histories with high temporal resolution. We present a simple, effective setup to quantify the cooling response of an uncoated…Phillip Dumitraschkewitz, Thomas Kremmer·Sep 8, 2026SaveLearn
Laser Shock Peening in Hydrogen Environments: Coupled Stress Transport Trapping Mechanisms and Application GapsHydrogen embrittlement limits the deployment of high-strength steels and advanced alloys in hydrogen infrastructure. Laser shock peening (LSP) is increasingly considered as a mitigation route because…Elzbieta Gadalinska, Jan Kaufman, Jan Smaus et al.·Sep 8, 2026SaveLearn
A thermally grown SiO2 diffusion barrier enabling high-temperature investigation of Ag-Au-Pd-Pt thin filmsCombinatorial processing platforms (CPPs), integrating Si microtip arrays with combinatorial thin film synthesis and atom probe tomography (APT), enable near-atomic-scale characterization of…Elaheh Akbarnejad, Aleksander Kostka, Advika Chesetti et al.·Sep 8, 2026SaveLearn
Davydov Splitting Without a Davydov Pair and Highly Mobile Singlet Excitons in Perylene Red MicrocrystalsWe investigate the excitonic properties of perylene red microcrystals, whose unit cell contain eight molecules, using both experimental and theoretical methods. Only two of the nominal eight Davydov…Chris Rehhagen, Tolibjon Abdurakhmonov, Magnus Frank et al.·Sep 8, 2026SaveLearn
EBSDmagus: Managing Multi-Stage Dynamical Electron Backscatter Diffraction SimulationsDynamical electron backscatter diffraction (EBSD) simulations increasingly support systematic studies of how material and experimental parameters affect diffraction patterns. Investigations that…Ulrich Kerzel, Lukas Berners, Sanddra Korte-Kerzel·Sep 8, 2026SaveLearn
Band Structure Modulation of ZrO2 Nanoparticles for Control of CO Adsorption Properties: A Combined Density Functional Theory - Density Functional Tight Binding StudyWe present a combined density functional theory (DFT) and density functional tight binding (DFTB) study of zirconia (ZrO2) nanoparticles of experimentally relevant sizes of several nanometers and…Kexin Chen, William Dawson, Aulia Sukma Hutama et al.·Sep 8, 2026SaveLearn