材料科学
We demonstrate a novel approach to the reconstruction of scanning probe x-ray diffraction tomography data with anisotropic poly crystalline samples. The method involves reconstructing a voxel map containing an orientation distribution…
We present measurements on in-plane Young's modulus and the Gr\"{u}neisen parameter of multilayer graphene with varying number of layers, obtained through {\it in situ} bulge tests. Accurate determination of their elastic parameters poses a…
The spatial distribution and morphology of precipitates formed during aging are key factors that determine the precipitation hardening response of various magnesium-rare earth alloys. In recent years, the use of high-performance computing…
Distributed Bragg reflectors (DBRs) can be fabricated by electrochemically etching nitride epitaxial structures consisting of alternating layers of highly n-type doped and non-intentionally doped (NID) GaN. Threading dislocations (TDs) can…
Tailoring the thermal expansion of martensitic materials by crystallographic texture and anisotropic variation of lattice parameters is a promising route to a flexible design of thermally stable systems. NiTi alloys are prototype materials…
Symmetry-lowering structural phase transitions result in multiple degenerate structures whose coexistence is determined by macroscopic strain compatibility. In quantum materials, these structural transformations often couple to electronic…
Ferroelectric membranes transferred onto arbitrary substrates provide reduced mechanical clamping at the interfaces that can diminish the effective polarization-rotation barrier offering a pathway to engineer larger electromechanical and…
The use of reflection high energy electron diffraction (RHEED) plays a critical role for in-situ characterization in molecular beam epitaxy, pulsed laser deposition and sputtering. While sensitive to crystal symmetries and morphology, it is…
Organic crystalline materials are potential candidates for photocatalytic overall water splitting (OWS). Although organic crystals have been heavily investigated for application in organic electronics, such as organic light-emitting diodes…
Despite the exceptionally high relative sensitivities achieved by luminescent thermometers based on first-order structural phase transitions, their principal limitation lies in the inherently narrow thermal operating range associated with…
Quasisymmetry (QS) provides a novel route to understand and control near-degeneracies, Berry curvature, optical selection rules, and symmetry-protected phenomena in quantum materials. Here we give physical interpretations of the emergence…
Machine learning has revolutionized materials property prediction, yet fails catastrophically when extrapolating beyond training distributions-precisely the capability required for discovering unprecedented materials. Graph neural networks…
Tungsten (W) is the leading candidate material for plasma-facing components in fusion reactors, yet its upper operational temperature is limited by premature grain growth and recrystallization processes. Irradiation adds further…
The photochemical CO2 reduction reaction represents a zero-carbon pathway for converting CO2 into value-added chemicals, yet its industrial implementation has been constrained by low selectivity and product diversity. Dirac nodal arc…
This letter predicts unprecedented order-to-disorder transition behaviors in multicomponent MXenes using an integrated and improved first-principles Monte Carlo (MC) framework. The improvements include (i) structural relaxation and (ii)…
Quantum chemistry calculations are a key component of the materials discovery process. The results from first-principles explorations enable the prediction of material properties prior to experimental validation. Despite their impact, the…
The "high-entropy" paradigm has been applied to a central challenge in materials science, the design of new functional materials with enhanced performance for targeted applications, with some notable successes over the last twenty years.…
The time-dependent diffusion spreadability $\mathcal{S}(t)$ is a powerful dynamical probe of the microstructure of two-phase heterogeneous media across length scales [Torquato, S., \emph{Phys. Rev. E.}, 104 054102 (2021)]. It has been shown…
A key problem of solid mechanics is the identification of the constitutive law of a material, that is, the relation between strain and stress. Machine learning has lead to considerable advances in this field lately. Here we introduce…
Polylactic acid (PLA) nanofibrous networks have gained substantial interest across various engineering and scientific disciplines, such as tissue engineering, drug delivery, and filtration, due to their unique and multifunctional…