511 papers
This study resolves the long-standing puzzle of ice's slipperiness by demonstrating that while nanoscale simulations alone fail to predict the correct friction behavior, incorporating frictional heating—which raises contact temperatures to the melting point even at modest speeds—accurately reproduces experimental data and confirms the 1939 hypothesis by Bowden and Hughes that frictional heating is the primary driver of ice's low friction.
This study demonstrates that the antiphase domains of the magnetoelectric antiferromagnet LiCoPO can be imaged using simple transmission microscopy by exploiting their spontaneous non-reciprocal light absorption (directional dichroism), particularly near the 1550 nm telecommunication wavelength.
Using the DFT+DMFT approach, this study reveals that monolayer FeGeTe exhibits a partially itinerant magnetic behavior where non-equivalent iron atoms display distinct local moment formation and crucial RKKY-type exchange interactions that stabilize long-range ferromagnetic order, highlighting the necessity of dynamical electron correlation treatments to accurately describe its magnetic properties.
This paper introduces a flexible metasurface tape operating at approximately 100 GHz that guides millimeter-wave energy as surface waves to reduce power decay from a spherical () to a circular () dependence, thereby significantly extending the effective range and received power of next-generation wireless systems.
This paper demonstrates that three-dimensional Bragg ptychography (3DBP) overcomes the phase retrieval limitations of traditional Bragg coherent diffraction imaging (BCDI) by successfully imaging micro-crystals with lattice distortions more than six times larger, thereby enabling reliable quantitative 3D imaging of strongly deformed systems.
This study predicts that specific stable and metastable La-Zr-H ternary hydrides exhibit high-temperature superconductivity (up to 209 K) at megabar pressures due to strong electron-phonon coupling in dense hydrogen cages, a trend successfully validated by a machine learning model to guide future experimental discovery.
This paper presents a high-fidelity level-set framework for simulating capillarity-driven polycrystalline grain growth with disorientation-dependent grain boundary energies, demonstrating superior energetic consistency and accuracy compared to existing models to enable advanced digital twins for annealing applications.
This paper demonstrates that Differential Phase Contrast (DPC) imaging in STEM, when coupled with color-space decomposition and neural networks, serves as a rapid, versatile tool for simultaneously identifying, quantifying, and segmenting diverse nanoscale features—from precipitates and strain fields to grain boundaries—across various advanced aluminium alloy systems.
This paper reports the experimental observation and simulation-supported analysis of atomic rainbow scattering patterns formed by 40 keV Xe ions transmitted through single-layer graphene, revealing a distinct structure composed of a small hexagonal inner rainbow from multi-atom interactions and a larger circular outer rainbow from binary collisions.
This study demonstrates that incorporating grain boundary shear coupling into continuum models reveals how induced internal stresses drive a more heterogeneous, less equiaxed grain growth process where stress relaxation dictates differential grain kinetics, aligning theoretical predictions with experimental and atomic-scale observations.
The paper introduces PolyCrysDiff, a conditional latent diffusion framework that enables the controllable, end-to-end generation of realistic and computable 3D polycrystalline microstructures, outperforming existing methods in reproducing grain attributes and facilitating data-driven optimization of material properties through crystal plasticity simulations.
This molecular dynamics study compares the thermal stability of silicene and thin silicon films using SNAP and GAP machine learning potentials, revealing that while SNAP accurately models the thickness-dependent melting behavior up to the bulk limit, GAP fails to describe the gas phase, causing silicene to decompose into clusters.
This study utilizes first-principles DFT calculations to demonstrate that X3NbY4 (X=Cu, Ag, Au; Y=S, Se, Te) sulvanite compounds are dynamically stable semiconductors with favorable optical absorption and thermoelectric parameters, making them promising candidates for optoelectronic and thermoelectric energy applications.
This paper theoretically proposes that hole-doped reduced bilayer nickelate LaNiO can exhibit -wave superconductivity driven by interorbital interactions within an orbital-space bilayer model, where the absence of apical oxygens creates a large orbital energy offset analogous to interlayer hopping in bilayer systems.
This study investigates the advanced degradation and plasticiser exudation in Joseph Beuys's plasticised PVC artworks by combining multi-analytical techniques with DFT simulations to elucidate the thermodynamic mechanisms of phase separation and demonstrate the efficacy of NMR spectroscopy for developing non-destructive preventive conservation tools.
This paper proposes a novel cold source field-effect transistor (CSFET) utilizing a type-III aligned 2D WTe/HfS heterostructure to eliminate Schottky barriers, achieving a high on/off ratio of 10 and a sub-thermal subthreshold swing of 41.3 mV/dec through first-principles quantum transport modeling.
This review systematically analyzes 96 peer-reviewed articles from 2017 to early 2026 to categorize Generative Adversarial Network architectures for porous material reconstruction, highlighting significant advancements in accuracy and scale while identifying persistent challenges in computational efficiency and structural continuity.
This study elucidates the distinct origins and propagation mechanisms of damping-like and field-like spin-orbit torques in Pt/Co/Cu/NiFe multilayers by utilizing a spin rotation geometry and a normalized moment analysis to reveal rapid interfacial spin absorption for damping-like torques versus extended propagation for field-like torques, while highlighting the critical role of capping layers in interfacial spin transport.
First-principles studies reveal that heterohalogen substitution in CsGeX induces a room-temperature polar monoclinic phase with enhanced polarization and significant Rashba spin-splitting, making these materials promising candidates for Datta-Das spin transistors.
This study demonstrates that by aligning the polarization of a time-periodic electromagnetic field with the crystal axes of bulk tin sulfide (SnS), researchers can deterministically control the parity and achieve selective band renormalization of Floquet-Bloch states through symmetry-driven photoemission selection rules.