434 papers
This study presents a glucose oxidase-embedded hydrogel that utilizes enzymatic pH waves to drive autonomous, energy-dependent spatiotemporal stiffening, revealing that mechanical transduction lags behind chemical propagation and establishing design principles for adaptive soft materials.
This paper benchmarks various parallelization strategies for flat-histogram Monte Carlo sampling and demonstrates that non-uniform energy domain decomposition offers the most significant performance improvements, providing concrete recommendations for optimizing simulations of complex alloy systems.
This paper presents a rigorous formulation of the downfolding procedure to derive exact effective models for arbitrary target spaces by integrating out high-energy degrees of freedom, establishes conditions for perturbative truncation, formally derives the constrained random phase approximation (cRPA) with identified corrections, and validates the approach using material examples like fcc Nickel and SrCuO.
This study refutes previous claims that (Ca₀.₅Mn₁.₅)MnWO₆ is a hybrid multiferroic by demonstrating through comprehensive dielectric, magnetic, and structural analyses that observed anomalies are attributable to spin-phonon coupling and chemical impurities rather than intrinsic ferroelectric or antiferroelectric ordering, thereby reclassifying the material as a paraelectric antiferromagnet.
By combining transport measurements with atom probe tomography, this study reveals that significant chemical heterogeneity and spatially varying compositions along ferroelectric domain walls in BiFeO3 provide a unifying explanation for their diverse electronic behaviors, demonstrating that multiple conduction mechanisms can coexist within individual walls.
This study introduces the enhanced WT-RDF+ framework, which leverages machine learning-assisted parameter tuning to overcome amplitude accuracy limitations in reconstructing Radial Distribution Functions for amorphous Ge-Se and Ag-Ge-Se systems, thereby outperforming standard ML benchmarks even with limited training data.
This paper presents an ultra-fast machine-learned interatomic potential for multilayer MoS2, developed using the UF3 framework, which accurately reproduces DFT-level structural, elastic, and defect properties while enabling large-scale non-equilibrium molecular dynamics simulations of epitaxial growth that reveal experimentally consistent van der Waals gaps and triangular domains.
This paper introduces the concept of "orbital altermagnetism," a symmetry-protected magnetic order characterized by staggered orbital moments and momentum-dependent band splittings that arises from loop currents in specific lattice structures and is predicted to exist in materials like CuBr and VS, offering new opportunities for orbital-based spintronics.
This paper presents a self-consistent many-body framework that unifies first-principles calculations with vertex corrections and beyond-quasiparticle effects to accurately predict phonon-limited electronic transport and optical properties in materials with strong electron-phonon interactions, achieving quantitative agreement with experimental data for Si, ZnO, and SrVO3.
This paper proposes a modified, mathematically consistent decoupled directional distortional hardening model for metal plasticity that resolves prior inconsistencies and limitations by introducing a new yield function term capable of capturing both yield surface flattening and sharpening, even in the absence of kinematic hardening.
This paper presents a minimal synthetic framework for force-responsive hydrogels based on reversible ring-forming polymers, which, as demonstrated by molecular dynamics simulations, exhibit catch bond behavior where bond lifetimes increase under mechanical load, enabling the design of mechanically adaptive materials with tunable durability and responsiveness.
This paper introduces PF-PINO, a physics-informed neural operator framework that embeds phase-field governing equation residuals into the training loss to significantly improve the accuracy, generalization, and long-term stability of predictive parametric phase-field modelling compared to conventional methods.
This study reports the high-pressure synthesis and characterization of metastable marcasite-type MnSb, revealing a complex, temperature-dependent incommensurate magnetic ground state with a spin-density-wave-like order and potential altermagnetic properties.
This study investigates the bulk magnetic properties of distorted square lattice compounds M'-LnTaO4 (Ln = Tb, Dy, Ho, Er), utilizing powder neutron diffraction and specific heat measurements to confirm the crystal structure, identify long-range antiferromagnetic order in TbTaO4 below 2.1 K, observe short-range ordering in DyTaO4, and establish a Kramers doublet ground state in ErTaO4.
This paper presents a vascularized robotic system capable of *in situ* photopolymerization to dynamically grow functional sensors from internal fluid reserves, thereby enabling real-time physical adaptation and closed-loop control in complex environments.
This study utilizes nano-spectroscopic X-ray magnetic circular dichroism to demonstrate that -FeO exhibits locally varying altermagnetic responses, including on-and-off switching across the Morin transition and finite signals within nanoscale domain walls and meron textures, thereby establishing a pathway for harnessing complex spin textures in earth-abundant altermagnets.
This paper presents a novel photoresist utilizing sensitized triplet-triplet annihilation upconversion combined with in-situ photochemical deoxygenation and Ni2+ photoreduction to enable the direct laser writing of ferromagnetic nickel microstructures under ambient conditions.
Using first-principles density functional theory, this study systematically investigates the electronic and magnetic anisotropy of 3d and 4d transition metal metallocenes, revealing that magnetic anisotropy depends strongly on orbital ordering rather than the number of d-electrons, with Mo and Rh exhibiting the highest values of approximately 20 K and up to 60 K in cationic states.
This paper introduces MAP-E, an autonomous, high-throughput robotic platform that automates parallel electrochemical experiments to generate reproducible, large-scale corrosion datasets and accelerate materials discovery through uncertainty-driven sampling strategies.
This paper investigates the temperature-dependent spectroscopic properties of Cr4+:YAG transparent ceramics from 5K to 300K, revealing sharp low-temperature absorption and emission features, including a 28 cm-1 doublet splitting, to elucidate the origin of the emission and the crystal field environment of the Cr4+ ions.