arXiv subjects

L. -W. Wang

Publications and source records attributed to L. -W. Wang.

6 recordsLinked to original sources

arXiv2026

AIMBio-Mat: An AI-Native FAIR Platform for Closed-Loop Materials Discovery and Biomedical Translation

Materials discovery and biomedical translation increasingly require models that can reason across composition, processing, structure, biological response, manufacturability, safety, and governance constraints. Existing materials and biomedical data ecosystems are powerful but remain poorly coupled for AI-guided discovery. Here we present AIMBio, a conceptual framework for an AI-native, FAIR, and governance-aware decision layer that links materials provenance, biomedical context, knowledge graphs, uncertainty-aware machine learning, and human-in-the-loop active learning. The framework formulates biomedical-materials discovery as constrained multi-objective optimization under uncertainty and introduces practical requirements for metadata, model documentation, risk-tiered governance, evaluation metrics, and phased implementation. To make the roadmap testable, we add a minimum viable prototype specification and a worked pilot for AI-guided nanomaterials for drug delivery. AIMBio is positioned as exploratory and preclinical discovery infrastructure, not as clinical decision-support software; any clinical or regulated-device use would require separate validation, change control, and regulatory review. The central contribution is a publishable platform blueprint for converting fragmented materials and biomedical records into auditable, experimentally actionable, and translationally responsible discovery workflows.

physics.app-ph↗

arXiv2026

Building a Regional Data-Centric Materials Science Ecosystem for Processing-Rich Materials Innovation in the Great Plains

Data-centric materials science is changing how materials are discovered, optimized, manufactured, and qualified, yet many deployment-limiting materials problems still depend on experimental, processing-rich, device-level, and field-relevant data that are difficult to capture in conventional materials databases. This perspective argues that the Great Plains and adjacent interior research corridor can make a distinctive national contribution by organizing distributed experimental assets into a trusted regional materials-data ecosystem. The proposed model emphasizes FAIR metadata, provenance, persistent sample identifiers, uncertainty-aware modeling, semi-closed-loop workflows, stackable workforce training, and tiered governance for academic, public, controlled-access, and industry-protected data. We identify five coupled barriers -- fragmented data, weak algorithm--laboratory translation, uneven access to cyberinfrastructure and technical staff, workforce gaps at the materials--data interface, and insufficient incentives for sharing and reuse -- and propose a staged roadmap for addressing them. A high-purity germanium pilot illustrates how regional strengths can be converted into reusable datasets, benchmark models, trained personnel, and decision-improving workflows. The broader message is that regional leadership in data-centric materials science will depend less on geographic concentration than on trustworthy data practices, interoperable infrastructure, cross-trained people, and application-driven materials challenges.

cond-mat.mtrl-sci↗

arXiv2020

Itinerant ferromagnetism and intrinsic anomalous Hall effect in amorphous iron-germanium

The amorphous iron-germanium system ($a$-Fe$_x$Ge$_{1-x}$) lacks long-range structural order and hence lacks a meaningful Brillouin zone. The magnetization of \aFeGe is well explained by the Stoner model for Fe concentrations $x$ above the onset of magnetic order around $x=0.4$, indicating that the local order of the amorphous structure preserves the spin-split density of states of the Fe-$3d$ states sufficiently to polarize the electronic structure despite $\mathbf{k}$ being a bad quantum number. Measurements reveal an enhanced anomalous Hall resistivity $ρ_{xy}^{\mathrm{AH}}$ relative to crystalline FeGe; this $ρ_{xy}^{\mathrm{AH}}$ is compared to density functional theory calculations of the anomalous Hall conductivity to resolve its underlying mechanisms. The intrinsic mechanism, typically understood as the Berry curvature integrated over occupied $\mathbf{k}$-states but shown here to be equivalent to the density of curvature integrated over occupied energies in aperiodic materials, dominates the anomalous Hall conductivity of $a$-Fe$_x$Ge$_{1-x}$ ($0.38 \leq x \leq 0.61$). The density of curvature is the sum of spin-orbit correlations of local orbital states and can hence be calculated with no reference to $\mathbf{k}$-space. This result and the accompanying Stoner-like model for the intrinsic anomalous Hall conductivity establish a unified understanding of the underlying physics of the anomalous Hall effect in both crystalline and disordered systems.

cond-mat.mes-hall↗

arXiv2017

Electron Accumulation and Emergent Magnetism in LaMnO3/SrTiO3 Heterostructures

Emergent phenomena at polar-nonpolar oxide interfaces have been studied intensely in pursuit of next-generation oxide electronics and spintronics. Here we report the disentanglement of critical thicknesses for electron reconstruction and the emergence of ferromagnetism in polar-mismatched LaMnO3/SrTiO3 (001) heterostructures. Using a combination of element-specific X-ray absorption spectroscopy and dichroism, and first-principles calculations, interfacial electron accumulation and ferromagnetism have been observed within the polar, antiferromagnetic insulator LaMnO3. Our results show that the critical thickness for the onset of electron accumulation is as thin as 2 unit cells (UC), significantly thinner than the observed critical thickness for ferromagnetism of 5 UC. The absence of ferromagnetism below 5 UC is likely induced by electron over-accumulation. In turn, by controlling the doping of the LaMnO3, we are able to neutralize the excessive electrons from the polar mismatch in ultrathin LaMnO3 films and thus enable ferromagnetism in films as thin as 3 UC, extending the limits of our ability to synthesize and tailor emergent phenomena at interfaces and demonstrating manipulation of the electronic and magnetic structures of materials at the shortest length scales.

cond-mat.mtrl-sci↗

arXiv2005

Higher order contributions to Rashba and Dresselhaus effects

We have developed a method to systematically compute the form of Rashba- and Dresselhaus-like contributions to the spin Hamiltonian of heterostructures to an arbitrary order in the wavevector k. This is achieved by using the double group representations to construct general symmetry-allowed Hamiltonians with full spin-orbit effects within the tight-binding formalism. We have computed full-zone spin Hamiltonians for [001]-, [110]- and [111]-grown zinc blende heterostructures (D_{2d},C_{4v},C_{2v},C_{3v} point group symmetries), which are commonly used in spintronics. After an expansion of the Hamiltonian up to third order in k, we are able to obtain additional terms not found previously. The present method also provides the matrix elements for bulk zinc blendes (T_d) in the anion/cation and effective bond orbital model (EBOM) basis sets with full spin-orbit effects.

cond-mat.mes-hall↗

arXiv1995

Electronic structure of intentionally disordered AlAs/GaAs superlattices

We use realistic pseudopotentials and a plane-wave basis to study the electronic structure of non-periodic, three-dimensional, 2000-atom (AlAs)_n/(GaAs)_m (001) superlattices, where the individual layer thicknesses n,m = {1,2,3} are randomly selected. We find that while the band gap of the equivalent (n = m = 2) ordered superlattice is indirect, random fluctuations in layer thicknesses lead to a direct gap in the planar Brillouin zone, strong wavefunction localization along the growth direction, short radiative lifetimes, and a significant band-gap reduction, in agreement with experiments on such intentionally grown disordered superlattices.

mtrl-th↗