Deep Learning for Accelerated Long-Horizon Forecasting of Multicomponent Multiphase Microstructure Evolution in High-Entropy AlloysPhase-field modeling provides a powerful approach for predicting microstructure evolution but becomes computationally prohibitive for multicomponent and multiphase systems over large spatial and…Hamidreza Razavi, Nele Moelans·Jul 30, 2026SaveLearn
Finite-temperature bulk moduli from an EOS-based Grüneisen functionAn equation-of-state (EOS)-based construction of the Grüneisen function is developed and assessed through predictions of finite-temperature bulk moduli. In this approach, the volume dependence of the…Çetin Kılıç·Jul 30, 2026SaveLearn
A Combined Microbeam and Phase-Field Approach to Identify the Toughness and Ultimate Strength of Amorphous SilicaThis work presents a new approach to evaluating the toughness, described by the critical energy release rate (Gc), and ultimate tensile strength (σc) of amorphous silica (SiO2 glass),…Gustavo Alberto Rosales-Sosa, Gergely Molnar, Yoshinari Kato et al.·Jul 30, 2026SaveLearn
Tilt-driven ferrielectricity in PbZrO3We reveal a tilt-driven mechanism for ferrielectricity in prototypical antiferroelectric PbZrO3. Specifically, introducing an additional octahedral tilt into the antiferroelectric Pbam phase…Huazhang Zhang, Ying Liu, Carson Carroll et al.·Jul 30, 2026SaveLearn
Optimization of magneto-electric properties in Lead-free (x)Co1.2Ti0.2Fe1.6O4 - (100-x)BaTiO3 based compositesThis work presents a systematic study of lead-free multiferroic composites of (x)Co1.2Ti0.2Fe1.6O4 - (100-x)BaTiO3 (x = 10, 20, 30), which were synthesized by a solid-state reaction method to…Rajeev Dwivedi, Samanway Mohanta, Ashutosh Anand et al.·Jul 30, 2026SaveLearn
Unconventional and Fragile Magnetic Exciton in a van der Waals Quantum MagnetThe recently discovered magnetic exciton in the van der Waals (vdW) antiferromagnet NiPS3 exemplifies these phenomena, exhibiting several distinctive characteristics. Despite extensive investigation,…Kai-Xuan Zhang, Min Zhang, Minjae Kim et al.·Jul 30, 2026SaveLearn
A Universal Crystal-Field Design Principle for Orbital-Order-Driven AltermagnetismAltermagnets combine collinear antiferromagnetic order with nonrelativistic spin splitting, enabling spintronic functionalities without relying on spin--orbit coupling. While staggered orbital…Shantanu Pathak, Saswata Bhattacharya·Jul 30, 2026SaveLearn
Physics to Circuit Analysis of GaN RF Integrated Circuits versus GaAs and SiliconThe migration of radio-frequency (RF) integrated-circuit platforms from silicon to GaAs and now to gallium nitride is derived here from first principles. The hexagonal non-centrosymmetric GaN lattice…Harkirat Kaur, Palak Kapoor, Rajesh Vedala·Jul 30, 2026SaveLearn
Anisotropic Tensile Strength and Fracture Mechanism of θ-TaN: A Machine-Learning Potential Molecular Dynamics Studytheta-phase tantalum nitride (theta-TaN) combines metallic conductivity with exceptionally high thermal conductivity, making it a potential material for device thermal management and interconnect…Chenyang Cao, Hongfei Li, Shuo Cao·Jul 30, 2026SaveLearn
Beyond Hexagonal Boron Nitride: First-Principles Study of Pentaoctite-BN and Pop-BN MonolayersWe investigate two novel non-hexagonal boron nitride monolayers, pentaoctite-BN (PO-BN) and pop-BN (PP-BN), using first-principles calculations. Their structural, electronic, mechanical, vibrational,…Victor M. S. da Conceição, Erika N. Lima, Roberto H. Miwa et al.·Jul 30, 2026SaveLearn
Theory of phonon-magnon hybridization and angular momentum in CrI3 and CrBr3In magnetic materials angular momentum can be mediated by different carriers, including electrons, magnons, and phonons. The magnons can interact with circularly polarized phonons which are close in…Maxime Mignolet, Miquel Royo, Massimiliano Stengel et al.·Jul 30, 2026SaveLearn
Influence of BaTiO3 nanoparticles on the anisotropy of the dielectric properties of nematic liquid crystal 5CBThis work is devoted to the mechanisms of dielectric response and electric conductivity of suspensions consisting of the nematic liquid crystal 5CB with different concentrations (from 0 to 10 wt.%)…Juliya M. Gudenko, Oleksandr S. Pylypchuk, Victor V. Vainberg et al.·Jul 30, 2026SaveLearn
Isolation of spin-valley locked nodal-line fermions in d-wave AV2X2O altermagnetsCrystalline symmetries stabilize topological states with distinct electronic properties, while altermagnets exhibit momentum-dependent spin splitting without net magnetization. Here, we combine…Pritesh Srivastava, Rahul Verma, Bahadur Singh·Jul 30, 2026SaveLearn
Fermi-level mediated acceleration of flash sintering of oxide ceramicsThe atomistic understanding of flash sintering (FS) remains speculative, despite its efficiency and versatility in materials processing. Employing first-principles calculations we demonstrate how…Qin-Kun Li, Evgeni S. Penev, Boris I. Yakobson·Jul 30, 2026SaveLearn
Electronic manifolds for extrapolative alloy discoveryThis study presents a computationally efficient framework for accelerated alloy discovery that uses the non-interacting electron density to capture intrinsic structure-property relationships in…Pranoy Ray, Sayan Bhowmik, Phanish Suryanarayana et al.·Jul 30, 2026SaveLearn
Temperature-doping phase diagram and endurance in Ce-doped HfO2The structural and ferroelectric properties of epitaxial Hf1-xCexO2 (CHO) thin films in the ultrathin regime are investigated as a function of Ce concentration (5% <= x <= 20%) and temperature. A…Amit Kumar Shah, Haidong Lu, Kawshan Hathurusingha et al.·Jul 29, 2026SaveLearn
Topology of Shape and Data in Material MicrostructuresOne of the challenges in microstructure analysis is the rigorous quantification of the shape, size, and spatial arrangement of the microstructure beyond comparison of average values. We expound on…Jeanie Schreiber, Zachary Grey, Adam Creuziger·Jul 29, 2026SaveLearn
Dynamics of Null and Electrostatic Blind Spots for Quantitative PFMPiezoresponse force microscopy is a cornerstone technique for probing nanoscale electromechanical phenomena, yet quantitative and in some cases qualitative interpretation remains hindered by…Marti Checa, Holland Swicegood, Ruben Millan-Solsona et al.·Jul 29, 2026SaveLearn
Decoding the Micromagnetic Hamiltonian from Magnetic FingerprintsExtracting intrinsic magnetic Hamiltonians directly from magnetometry is challenging due to the high dimensionality of the parameter space and the degeneracy induced by ensemble averaging. Here, we…Bradley J. Fugetta, Anqi Liu, Kai Liu et al.·Jul 29, 2026SaveLearn
Structure and thermodynamic stability of β-Ga2O3 surfacesWe present a comprehensive first-principles investigation of all symmetrically inequivalent low-index surfaces of β-Ga2O3, examining their structural properties and thermodynamic stability…Konstantin Lion, Claudia Draxl·Jul 29, 2026SaveLearn
Optimization of Epitaxial Mn4N Thin Films Grown by Sputtering for Spintronic ApplicationsFerrimagnetic Mn4N has recently emerged as a promising rare-earth-free platform for spintronic devices due to its low magnetization, high domain wall mobility, and strong anomalous Hall response.…Teodor Apetrei, Emre Demiroglu, Caner Deger et al.·Jul 29, 2026SaveLearn
PEDOT:PSS-Coated Magnetoelastic Sensors for Highly Sensitive Wireless Humidity SensingMagnetoelastic (ME) resonators provide an attractive platform for passive and wireless sensing, particularly for monitoring relative humidity (RH) in sealed or hard-to-access environments. In this…Wenderson R. F. Silva, Robson C. O. Guedes, Gilberto Rodrigues-Junior et al.·Jul 29, 2026SaveLearn
Evolution of the Irradiation Induced Defect Landscape through Dislocation Vacancy Loop Interactions in TungstenStructural materials for fusion reactors undergo neutron irradiation, generating defect populations that govern their mechanical response through irradiation hardening. Physically based mesoscale…Soumya Mishra, Suchandrima Das·Jul 29, 2026SaveLearn
Machine Learning for Designing Undesignable Metal-Organic FrameworksMany crucial processes are too complex for computational modeling, requiring experimentation to identify promising materials. Here, a methodology for material design is presented, while…Satya Kokonda·Jul 29, 2026SaveLearn
Parity-selective spin splitting in coplanar antiferromagnets via bichromatic drivingParity is a central characteristic of momentum-dependent spin splitting in antiferromagnets (AFMs). Yet, intrinsic crystal symmetries typically restrict the splitting to either even or odd parity,…Di Zhu, Zhongbo Yan, Mohsen Yarmohammadi·Jul 29, 2026SaveLearn