858 papers
This paper presents a parametrized unified two-temperature molecular dynamics model for self-ions in elemental semiconductors that accurately reproduces trajectory-dependent electronic stopping values from rt-TDDFT simulations, thereby generating ion range profiles that closely match experimental data.
This study establishes a 3D coupled thermal-flow-particle multiphysics model to demonstrate that the motion and deposition distribution of WC particles in laser cladding are size-dependent, transitioning from inertia-driven bottom accumulation for coarse particles to drag-driven edge dispersion for fine particles, thereby providing a theoretical basis for optimizing coating microstructure.
By utilizing 23Na NMR and ab initio calculations, this study demonstrates that intrinsic disorder in Na2Co2TeO6 induces a transition to a quantum Griffiths phase characterized by coexisting gapped and nearly gapless spin excitations, challenging the conventional view that disorder solely destabilizes Kitaev quantum spin liquids.
This study demonstrates all-electrical coherent control of a single Er electron spin exchange-coupled to a Ti atom via scanning tunneling microscopy, achieving near-gigahertz Rabi frequencies by leveraging anisotropic exchange interactions to overcome the shielding challenges of rare-earth 4f electrons.
This paper proposes that atomic binding intrinsically rescales a bound muon's rest mass, predicting two specific, parameter-free signatures—a 0.95 MeV downward shift and a 0.9% compression of the decay-in-orbit spectrum in muonic aluminum—that, if observed by COMET or Mu2e, would provide empirical evidence contradicting standard Quantum Electrodynamics.
This study demonstrates that thermal annealing of sol-gel derived β-Ga2O3 thin films on SiO2/Si substrates effectively transforms amorphous precursors into polycrystalline structures with tunable band gaps and oxygen-vacancy-mediated photodetection properties, enabling the fabrication of fast-responding planar photodetectors.
This paper presents a computationally efficient, reduced-order particle framework that simulates recalescence-induced self-jumping ice dynamics by modeling asymmetric vaporization as a momentum-generating impulse, enabling shape-independent and curvature-aware detachment simulations on arbitrary 2D and 3D geometries without requiring full multiphase fluid solvers.
This first-principles study reveals that hydrostatic pressure up to 20 GPa induces an isosymmetric structural transition near 14 GPa in the organic nonlinear optical crystal MBANP, significantly enhancing its mechanical stability, narrowing its bandgap, and reorganizing intermolecular interactions to offer a viable pathway for tuning its optoelectronic properties.
This paper presents a fully self-consistent one-dimensional fluid model of an atmospheric dielectric barrier discharge coupled with a dynamically evolving liquid layer, demonstrating that incorporating dynamic conductivity feedback is crucial for accurately predicting plasma-activated water properties such as pH and hydrogen peroxide concentration.
This paper demonstrates that while passive detection of hidden nuclear material in orbit via naturally induced neutron emissions is feasible at long ranges, distinguishing its specific composition from benign high-density materials like tungsten requires significantly longer observation times and closer proximity, thereby establishing distinct operational regimes for detection, discrimination, and attribution.