Revealing the origin of ionic conduction in silver-iodide-doped silver phosphate glassFast ionic transport is a defining feature of many solid electrolytes, yet its microscopic origin is not fully understood. In the absence of microscopic insights, the development of next-generation…Jennifer Freedberg, Joseph Maduzia, Andias Santoso et al.·Sep 6, 2026SaveLearn
First-principles-based Prediction of Phase Fields: Part I. Binary and Ternary Refractory AlloysMultiple principal element alloys (MPEAs) exhibit complex phase equilibria involving multinary solid solutions and intermetallics, which makes it challenging to predict their temperature-composition…Pravan Omprakash, Nicholas Crnkovich, John Cavin et al.·Sep 6, 2026SaveLearn
Machine learning for the design and prediction of soft-magnetic electromagnetic shielding FeCo-based alloys in laser claddingElectromagnetic shielding materials play a pivotal role in both aerospace applications and daily life. However, their design and manufacturing still face persistent challenges. Machine learning…Luting Wang, Suiyuan Chen, Xiancheng Zhu et al.·Sep 6, 2026SaveLearn
β-(Al0.19 Ga0.81)2 O3/Ga2 O3 Modulation-Doped Field-Effect Transistors with > 6 kV Breakdownβ-(Al0.19 Ga0.81)2 O3/Ga2 O3 modulation-doped field-effect transistors (MODFETs) incorporating a high-quality Al2O3 gate dielectric and SiNx passivation are demonstrated for high-voltage…Julian Gervassi Saga, Joshua T Buontempo, Nabasindhu Das et al.·Sep 6, 2026SaveLearn
First-Principles Study of Magnetism, Electronic Structure, and Bonding in Nb-Mn-Ge Kagome CompoundsIn this work, we systematically investigate the magnetic ground states, electronic structures, and bonding characteristics of the computationally predicted stable NbMn6Ge6, NbMn6Ge5, and NbMn6Ge4…Wei-Shen Tee, Shiya Chen, Weiyi Xia et al.·Sep 6, 2026SaveLearn
Barrierless Water Dissociation on Rare-Earth Sesquioxide Surfaces from First PrinciplesWater dissociation on metal oxide surfaces is a key elementary step in heterogeneous catalysis, photocatalysis, and radiation chemistry, yet its mechanistic details on rare-earth (RE) sesquioxides…Shuxiang Zhou, Jay A. LaVerne, Hanna Hlushko·Sep 6, 2026SaveLearn
First Principles Thermodynamics of Zr B Segregation at Grain Boundaries in Recycled Nd2Fe14BGrain-boundary chemistry is central to the coercivity and thermal stability of Nd2Fe14B permanent magnets, particularly in recycled magnets where recovery of the hard-magnetic phase does not by…Avik Mahata, Miha Zakotnik·Sep 6, 2026SaveLearn
Chemical and interface confinement effects in promoting plastic co-deformation in high-strength nano-scale eutecticsEutectics offer a route to overcome plastic incompatibility in disparate-phase heterostructures by coupling microstructural refinement with phase-specific chemical and crystallographic hierarchy.…Arkajit Ghosh, Amit Misra·Sep 6, 2026SaveLearn
Zonal dislocations in Laves phases: A coupled synchro-shear slip mechanismSynchro-shear is the primary plastic deformation mechanism in Laves phases at elevated temperatures, mediated by synchro-Shockley partial dislocations-zonal dislocations that proceed via localized…Sang-Hyeok Lee, Mariano Forti, Thomas Hammerschmidt et al.·Sep 5, 2026SaveLearn
A Transport Framework for Evaluating Nanoscale Interconnect MaterialsAs CMOS technology continues to scale, metallic interconnects increasingly limit circuit performance through rising resistivity, self-heating, and reliability degradation. Although several…Md. Rafiqul Islam, Patrick E. Hopkins·Sep 5, 2026SaveLearn
Altermagnetism from the viewpoint of chemistryMagnetism has been a central theme of research in chemistry, physics, and materials science, with chemical composition and bonding playing key roles in determining magnetic behavior. Altermagnets are…Nayana Devaraj, Anumita Bose, Md Afsar Reja et al.·Sep 5, 2026SaveLearn
Momentum-Resolved Electronic Structure for Quasicrystals: Full-Band Spectra and Chern NumberQuasicrystals lack the translational symmetry that underlies Bloch decomposition and Brillouin-zone integration, making full-band momentum-resolved electronic structure difficult to formulate and…Donglin Yang, Huajie Chen, Dexuan Zhou et al.·Sep 5, 2026SaveLearn
Elucidating Guest-Host Mechanisms in ZIF-L for Tuneable Highly Luminescent 2D Materials3D metal-organic frameworks (MOFs) are well known effective hosts for luminescent guests that improve tuneability, photostability and material fabricability. 2D guest@MOF systems, while less…Dylan A. Sherman, Lorenzo Donà, Cyril Besnard et al.·Sep 5, 2026SaveLearn
Oxidation of Tantalum Nano-Film by Microwave ExposureOxidation and ablation of 200 nm tantalum films were carried out by three routes: (i) femtosecond (fs-)laser direct write, (ii) high-temperature annealing (HTA) in a tube furnace, and (iii) annealing…Massimiliano Zamengo, Lina Grineviciute, Hsin-Hui Huang et al.·Sep 5, 2026SaveLearn
Reusable Operators for Irreducible Cartesian Tensor Decomposition and CouplingMolecular and material properties, from the polarizability to the elastic constants, are described by tensors. Their behavior under rotations is made explicit when a tensor is decomposed into…Mingjian Wen·Sep 5, 2026SaveLearn
The electromagnetic stress tensor in cubic crystals and amorphous solidsThe electromagnetic vacuum stress tensor in a system consisting of classical point-like atoms on a cubic lattice is derived directly from the electric field and, alternatively, using the known more…Richard Dengler·Sep 5, 2026SaveLearn
Diffusion Quantum Monte Carlo Benchmark of Interlayer Binding and Charge Redistribution in Chemically Distinct Two-Dimensional Van Der Waals BilayersInterlayer interactions in two-dimensional materials can generate emergent phenomena absent in their constituent monolayers, including unconventional magnetic order, multiferroicity, and topological…Kayahan Saritas, Hyeonedok Shin, Jaron T. Krogel et al.·Sep 5, 2026SaveLearn
Plasmon drag and photoinduced magnetic effects in plasmonic and magnetic metalsPhotoinduced electric effects in plasmonic and magnetic materials under pulsed laser illumination exceed the prediction of the electromagnetic momentum-transfer mechanism by orders of magnitude. In…Md Afzalur Rab, Terence Baker, Natalia Noginova·Sep 4, 2026SaveLearn
FPBench: Application-Oriented Error Decomposition for Foundation PotentialsFoundation potentials (FPs) have emerged as a new basis for atomistic modeling. While their evaluation using average energy and force errors often indicates near-DFT accuracy, their performance in…Kiyan Amirian, Ramanuja Srinivasan Saravanan, Felix Adams et al.·Sep 4, 2026SaveLearn
Bridging simulation length scales with cellular automataMultiscale simulation requires coupling physics models that operate at different characteristic length and time scales, because no single method spans the range needed for most problems of interest.…John J. Karnes, Esteban D. Gadea, Shakkira Erimban et al.·Sep 4, 2026SaveLearn
From Electronic Structure to Environmental Remediation: Adsorption of Ionized Glyphosate on COOH-Modified Carbon NanotubeGlyphosate is a widely used herbicide whose persistence and toxicity in aquatic and terrestrial environments demand efficient removal strategies. Here we employ GFN2 xTB calculations with implicit…H. T. Silva, L. C. S. Faria, C. Aguiar et al.·Sep 4, 2026SaveLearn
Customized spin spirals in ferromagnetic thin filmsThe advancement of spintronic nanoscale devices hinges on the ability to flexibly engineer magnetic spin structures in thin-film stacks with precision and control. Meeting this demand remains a…Anjali Panchwanee, Kai Schlage, Dieter Lott et al.·Sep 4, 2026SaveLearn
Remote epitaxy beyond polarityRemote epitaxy through a monolayer two-dimensional material-covered substrate establishes a crystallographic registry across the van der Waals (vdW) surface that enables the epitaxial growth,…Ching-Tai Fu, Pei-Jan Hung, Xudong Li et al.·Sep 4, 2026SaveLearn
Neural-field design of broadband Rayleigh-wave carpet cloaks under microstructure realisability constraintsTransformation elasticity provides appropriate material distributions for elastodynamic cloaks but the required stiffness tensors generally violate the minor symmetries of Cauchy elasticity and are…David Aznaurov, Davit Piliposyan, Danila Rukhovich et al.·Sep 4, 2026SaveLearn
Interfacial Accommodation as a Candidate Ductility Pathway in Intermetallic-Rich AlloysHeterophase interfaces are increasingly recognized as active participants in plastic deformation, yet quantitative methods for comparing their strain-accommodation capacity remain limited. Here, we…Avik Mahata·Sep 4, 2026SaveLearn