Physics, Materials Science papers, 2024-03-01 to 2024-08-31

Papers

1401. Understanding the Influence of Hydrogen on BCC Iron Grain Boundaries using the Kinetic Activation Relaxation technique (k-ART)2406.13100 · 18 Jun 2024
1402. Polyvinylidene fluoride transducer shape optimization for the characterization of anisotropic materials2406.12749 · 18 Jun 2024
1403. Vibrational Entropy and Free Energy of Solid Lithium using Covariance of Atomic Displacements Enabled by Machine Learning2406.15491 · 18 Jun 2024
1404. Diverse Responses in Lattice Thermal Conductivity of $n$-type/$p$-type Semiconductors Driven by Asymmetric Electron-Phonon Interactions2406.12187 · 18 Jun 2024
1405. Machine learning guided discovery of stable, spin-resolved topological insulators2406.12850 · 18 Jun 2024
1406. Scanning tunneling microscopy using CO-terminated probes with tilted and straight geometries2406.12601 · 18 Jun 2024
1407. The influence of dislocations on R-phase transformations in a NiTi shape memory alloy2406.12431 · 18 Jun 2024
1408. Damage mechanisms in polyalkenes irradiated with ultra-short XUV/x-ray laser pulses2406.12484 · 18 Jun 2024
1409. Electric field enhances the electronic and diffusion properties of penta-graphene nanoribbons for application in lithium-ion batteries: a first-principles study2406.13096 · 18 Jun 2024
1410. Understanding the intrinsic framework of the Hall-Petch relationship of metals from the view of the electronic-structure level2406.12613 · 18 Jun 2024
1411. Can it be detected? A computational protocol for evaluating MOF-metal oxide chemiresistive sensors for early disease detection2406.13097 · 18 Jun 2024
1412. Spin polarisation and non-isotropic effective mass in the conduction band of GdN2406.12185 · 18 Jun 2024
1413. Influence of the coating brittleness on the thermomechanical fatigue behavior of a $β$-NiAl coated R125 Ni-based superalloy2406.13070 · 18 Jun 2024
1414. Unusual charge density wave introduced by Janus structure in monolayer vanadium dichalcogenides2406.12180 · 18 Jun 2024
1415. Methods for color center preserving hydrogen-termination of diamond2406.12249 · 18 Jun 2024
1416. The Origin of Photoplasticity in ZnS2406.13044 · 18 Jun 2024
1417. Machine Learning Based Prediction of Proton Conductivity in Metal-Organic Frameworks2407.09514 · 18 Jun 2024
1418. Electron-Beam Writing of Atomic-Scale Reconstructions at Oxide Interfaces2406.12743 · 18 Jun 2024
1419. LLMatDesign: Autonomous Materials Discovery with Large Language Models2406.13163 · 19 Jun 2024
1420. Multiband transport in RuO$_2$2406.13518 · 19 Jun 2024
1421. Flexoelectricity in Amorphous Hafnium Oxide (HfO2)2406.13382 · 19 Jun 2024
1422. A higher-dimensional geometrical approach for the classification of 2D square-triangle-rhombus tilings2406.13509 · 19 Jun 2024
1423. Optimal pre-train/fine-tune strategies for accurate material property predictions2406.13142 · 19 Jun 2024
1424. Relative Time-of-Flight Measurement in an Ultrafast Electron Microscope2406.13614 · 19 Jun 2024
1425. Alternating current Hanle effect as poor man's paramagnetic resonance2406.13886 · 19 Jun 2024
1426. Solution-dependent electrostatic spray deposition (ESD) ZnO thin film growth processes2406.13313 · 19 Jun 2024
1427. Anisotropic magnetization dynamics in Fe5GeTe2 at room temperature2406.13273 · 19 Jun 2024
1428. Exploring large language models for microstructure evolution in materials2406.15499 · 19 Jun 2024
1429. Predicting BN analogue of 8-16-4 graphyne: \textit{In silico} insights into its structural, electronic, optical, and thermal transport properties2406.13407 · 19 Jun 2024
1430. Two dimensional magnets: Forgotten history and recent progress towards spintronic applications2406.13206 · 19 Jun 2024
1431. Lewis Acidity and Basicity Diagnostics of Molten Salt for its Properties and Structure Online Monitoring2406.13368 · 19 Jun 2024
1432. Structural and Electronic Properties of Amorphous Silicon and Germanium Monolayers and Nanotubes: A DFT Investigation2406.13769 · 19 Jun 2024
1433. Certification Grade Quantum Dot Luminescent Solar Concentrator Glazing with Optical Communication Capability for Connected Sustainable Architecture2406.13297 · 19 Jun 2024
1434. Local structure maturation in high entropy oxide (Mg,Co,Ni,Cu,Zn)1-x(Cr,Mn)xO thin films2406.13550 · 19 Jun 2024
1435. Magnetism-induced second-order nonlinear optical responses in multiferroic BiFeO$_3$2406.13377 · 19 Jun 2024
1436. Mapping Rashba and Dresselhaus spin-orbit interactions to inversion asymmetry in perovskite oxide heterostructures2406.13391 · 19 Jun 2024
1437. Electric field manipulation of magnetization in an insulating dilute ferromagnet through piezoelectromagnetic coupling2406.13534 · 19 Jun 2024
1438. Nano-Patterned Pt-Based Metallic Glass Electrocatalysts with In-Situ Copper Oxide Foam for Enhanced Hydrogen Evolution2406.14079 · 20 Jun 2024
1439. Nonlinear photomagnetization in insulators2406.14748 · 20 Jun 2024
1440. Electronic Self-Organization in the β-Pyrochlore Oxide CsW2O62406.13981 · 20 Jun 2024
1441. Non-thermal Magnetic Deicing Using Two-Dimensional Chromium Telluride2406.14381 · 20 Jun 2024
1442. Valley polarization in twisted altermagnetism2406.13950 · 20 Jun 2024
1443. Structural chirality and related properties in the periodic inorganic solids: Review and perspectives2406.14684 · 20 Jun 2024
1444. Machine Learning Models for Accurately Predicting Properties of CsPbCl3 Perovskite Quantum Dots2406.15515 · 20 Jun 2024
1445. Efficient parameterization of transferable Atomic Cluster Expansion for water2406.14306 · 20 Jun 2024
1446. Observation of dendrite formation at Li metal-electrolyte interface: A machine-learning enhanced constant potential framework2406.14025 · 20 Jun 2024
1447. Automated detection and mapping of crystal tilt using thermal diffuse scattering in transmission electron microscopy2406.14151 · 20 Jun 2024
1448. Thin Film Synthesis, Structural Analysis, and Magnetic Properties of Novel Ternary Transition Metal Nitride MnCoN22406.14443 · 20 Jun 2024
1449. Analysis of shear localization in viscoplastic solids with pressure-sensitive structural transformations2406.15690 · 21 Jun 2024
1450. The Wetting of H$_2$O by CO$_2$2406.15230 · 21 Jun 2024
1451. Polar phonons and magnetic excitations in the antiferromagnet CoF$_2$2406.15574 · 21 Jun 2024
1452. Stress induced martensitic transformation in NiTi at elevated temperatures: martensite variant microstructures, recoverable strains and plastic strains2406.15188 · 21 Jun 2024
1453. Martensitic transformation induced by cooling NiTi wire under various tensile stresses: martensite variant microstructure, textures, recoverable strains and plastic strains2406.15204 · 21 Jun 2024
1454. Tailored topotactic chemistry unlocks heterostructures of magnetic intercalation compounds2406.15261 · 21 Jun 2024
1455. Low-Temperature Synthesis of Stable CaZn$_2$P$_2$ Zintl Phosphide Thin Films as Candidate Top Absorbers2406.15637 · 21 Jun 2024
1456. LeapFrog: Getting the Jump on Multi-Scale Materials Simulations Using Machine Learning2406.15326 · 21 Jun 2024
1457. A High-Throughput and Data-Driven Computational Framework for Novel Quantum Materials2406.15630 · 21 Jun 2024
1458. Uncovering the origin of interface stress enhancement and compressive-to-tensile stress transition in immiscible nanomultilayers2406.14959 · 21 Jun 2024
1459. Symmetry-controlled SrRuO3/SrTiO3/SrRuO3 magnetic tunnel junctions:Spin polarization and its relevance to tunneling magnetoresistance2406.15290 · 21 Jun 2024
1460. Predicting electronic screening for fast Koopmans spectral functional calculations2406.15205 · 21 Jun 2024
1461. Enhancing Irradiation Resistance in Refractory Medium Entropy Alloys with Simplified Chemistry2406.15022 · 21 Jun 2024
1462. Machine Learning Materials Properties with Accurate Predictions, Uncertainty Estimates, Domain Guidance, and Persistent Online Accessibility2406.15650 · 21 Jun 2024
1463. Dislocation cartography: Representations and unsupervised classification of dislocation networks with unique fingerprints2406.15004 · 21 Jun 2024
1464. Phase transitions, Dirac and WSM states in $\mathrm{Mn}_{1-x} \mathrm{Ge}_x \mathrm{Bi}_2 \mathrm{Te}_4$2406.15065 · 21 Jun 2024
1465. Discovery of Novel Silicon Allotropes with Optimized Band Gaps to Enhance Solar Cell Efficiency through Evolutionary Algorithms and Machine Learning2406.15316 · 21 Jun 2024
1466. Synergistic Influence of Surface Sanding Technique and Multi-Walled Carbon Nanotube Incorporation on the Mode I Fracture Behavior of Glass Composite Laminates2406.15292 · 21 Jun 2024
1467. Gas permeability, diffusivity, and solubility in polymers: Simulation-experiment data fusion and multi-task machine learning2406.14809 · 21 Jun 2024
1468. Recoverable and plastic strains generated by forward and reverse martensitic transformations under external stress in NiTi SMA wires2406.15200 · 21 Jun 2024
1469. Growth Conditions and Interfacial Misfit Array in SnTe (111) films Grown on InP (111)A Substrates by Molecular Beam Epitaxy2406.15248 · 21 Jun 2024
1470. Thermodynamic modeling of the LiCl-KCl-LaCl$_3$ system with Bayesian model selection and uncertainty quantification2406.15223 · 21 Jun 2024
1471. Irida-Graphene Phonon Thermal Transport via Non-equilibrium Molecular Dynamics Simulations2406.15855 · 22 Jun 2024
1472. Alternating-Chiral Charge Density Waves and Hybrid Ferrimagnetism in Monolayered NbTe22406.15835 · 22 Jun 2024
1473. Efficient Band Structure Calculation for Transitional-Metal Dichalcogenides Using the Semiempirical Pseudopotential Method2406.15913 · 22 Jun 2024
1474. Decoupling Many-Body Interactions in CeO2 (111) Oxygen Vacancy Structure: Insights from Machine-Learning and Cluster Expansion2406.15956 · 22 Jun 2024
1475. Stress-tunable abilities of glass forming and mechanical amorphization2406.15722 · 22 Jun 2024
1476. Magneto-electric decoupling in bismuth ferrite2406.16114 · 23 Jun 2024
1477. Modeling of Hot-Carrier Degradation driven by silicon-hydrogen bond dissociation in SPADs2407.07105 · 23 Jun 2024
1478. Machine-Learning-Enabled Fast Optical Identification and Characterization of 2D Materials2406.16211 · 23 Jun 2024
1479. Composite Material Design for Optimized Fracture Toughness Using Machine Learning2406.16166 · 23 Jun 2024
1480. From Text to Test: AI-Generated Control Software for Materials Science Instruments2406.16224 · 23 Jun 2024
1481. Pressure tuning of HgCdTe epitaxial layers -- the role of the highly disordered buffer layer2406.16122 · 23 Jun 2024
1482. Light-induced percolative topological phase transition in type-II Weyl semimetal WTe22406.16663 · 24 Jun 2024
1483. First-principles study of strain behavior in iron-based fluorides of tungsten bronze type as cathode materials for alkali-ion batteries2406.16677 · 24 Jun 2024
1484. Physical simulation of nucleation and crystallization processes in transparent organic melts2406.16472 · 24 Jun 2024
1485. Learning the physics-consistent material behavior from experimentally measurable data via PDE-constrained optimization2406.16457 · 24 Jun 2024
1486. Electric field tunable non-linear Hall terahertz detector in Dual quantum spin Hall insulator $\text{TaIrTe}_4$2406.16261 · 24 Jun 2024
1487. Experimental and Computational Insights Into the Magnetic Anisotropy and Magnetic Behaviour of Layered Room-Temperature Ferromagnet Cr$_{1.38}$Te$_2$2406.16831 · 24 Jun 2024
1488. Ab initio quasi-harmonic thermoelasticity of molybdenum at high temperature and pressure2406.16634 · 24 Jun 2024
1489. Probing Intrinsic Elastic Properties of Multilayer Graphene -- a New Mechanical Constant2406.16344 · 24 Jun 2024
1490. Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structure2406.16654 · 24 Jun 2024
1491. Bipolarized Weyl semimetals and quantum crystal valley Hall effect in two-dimensional altermagnetic materials2406.16603 · 24 Jun 2024
1492. Random Forest Prediction of Crystal Structure from Electron Diffraction Patterns Incorporating Multiple Scattering2406.16310 · 24 Jun 2024
1493. Structural Influence on Exciton Formation and the Critical Role of Dark Excitons in Polymeric Carbon Nitrides2406.16643 · 24 Jun 2024
1494. Lone Pair Induced 1D Character and Weak Cation-anion Interactions: Two Ingredients for Low Thermal Conductivity in Mixed-anion Metal Chalcohalides2406.16744 · 24 Jun 2024
1495. Single-Layer Fe-Cu Interphase in Ferritic Steels Stabilized by Magnetic Friedel Oscillations2406.16245 · 24 Jun 2024
1496. Anharmonic Incommensurate Structure Modulation in Ni-Mn-Ga Martensite Exhibiting Highly Mobile Twin Boundaries2406.16664 · 24 Jun 2024
1497. Optical and X-ray Photo-emission Spectroscopies of Core/Shell Colloidal CdSe/CdS Quantum Dots: Modeling and Experimental Determination of Band Alignment2406.17366 · 25 Jun 2024
1498. Robust and effective ab initio molecular dynamics simulations on the GPU cloud infrastructure using the Schrödinger Materials Science Suite2406.17510 · 25 Jun 2024
1499. Tuning the interlayer coupling in La0.7Sr0.3Mn0.95Ru0.05O3 / LaNiO3 multilayers with perpendicular magnetic anisotropy2406.17432 · 25 Jun 2024
1500. Quantification of Cyclic Topology in Polymer Networks Using 3D Nets2406.17883 · 25 Jun 2024