Materials Literature
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The tutorial on best practices in `0 K' DFT energy calculations on molecular crystal structures by van de Streek & Johnson [Acta Cryst. (2026), C82, 383-400] provides a highly accessible and practical guide for performing reliable periodic density functional theory calculations in organic crystals.
This paper introduces a generalized two-dimensional measure-theoretic frameworkto quantify the spatial asymmetry of discrete subsets on the Euclidean plane ℝ^2.Building upon one-dimensional topological divergence, we formalize the 2D Vector Drift Operator and the dimensionless Topologically Invariant Divergence Coeffi…
FINDING: Discovery of quasicrystals with forbidden five-fold rotational symmetry, breaking periodic lattice dogma, linked to Penrose tiling and golden ratio. | MATH: Golden ratio φ = (1+√5)/2 ≈ 1.618; its reciprocal 1/φ ≈ 0.618; φ² = φ+1 ≈ 2.618; φ⁻² = 2-φ ≈ 0.382. Five-fold symmetry is incompatible with periodic Brav…
This study examines the nonlinear vibration and postbuckling behavior of functionally graded porous copper beams reinforced with graphene origami (GOri) metamaterials, partially immersed in fluid. The analysis focuses on how porosity characteristics and negative Poisson’s ratio (NPR) influence nonlinear dynamic perfor…
The fabrication of organic light-emitting diodes (OLEDs) typically proceeds via vacuum deposition (VD); however, solution-processed (SP) devices hold the promise for a much more cost-effective and less energy-intense fabrication. Their performance, however, lags behind 2 vacuum-deposited devices, in part because there…
FINDING: Quasicrystal diffraction indexed via golden ratio basis vectors and higher-dimensional projection methods; golden ratio emerges as a stable local recurrence operator in self-application systems. MATH: - Golden ratio φ = (1+√5)/2 ≈ 1.618, reciprocal 1/φ = φ−1 ≈ 0.618, φ² = φ+1 ≈ 2.618, φ⁻² = 2−φ ≈ 0.382. - Bas…
This revised article addresses Q0196, 'How can we validate AI-based spectral interpretation so that inferred structures remain chemically auditable?' using a question-specific mathematical construction rather than a generic logarithmic template. The proposed model, termed the Auditable Spectral-Structure Posterior Mod…
Alcohol-based deep eutectic solvents (DESs), exhibiting energy/power densities of 12–14 Wh kg −1 / 6.5–7.5 kW kg −1 with YP-80F activated carbon at 1.8 V cell voltage, are demonstrated as efficient low-leakage-current electrolytes suitable for ultra-low-power printed energy storage. Through low faradaic self-discharge…
This paper develops a revised mathematical solution framework for the chemistry challenge "Can autonomous laboratories discover catalysts and operating waveforms together rather than optimizing them separately?". The proposed Mixed-Variable Autonomous Catalyst Search Model (MACSM) was constructed after an earlier form…
Developing eco-friendly, multifunctional plant-based foams is essential for environmental protection and energy conservation. The environmental pollution and health hazards associated with petroleum-based foam plastics are becoming increasingly evident. Using sugarcane bagasse fibers and bamboo fibers as raw materials…
The increasing demand for sustainable, functional, and safe food packaging has driven the development of edible polysaccharide-based films and coatings. Cellulose, hemicellulose, and chitosan serve as versatile platforms for constructing multifunctional interfaces that integrate preservation, bioactive delivery, and p…
Recycled glass fiber-reinforced polymer (GFRP) powder from decommissioned wind turbine blades offers sustainable reinforcement for wood–plastic composites (WPCs), but its efficiency is limited by poor interfacial adhesion with the polypropylene (PP) matrix caused by surface epoxy residues. In this study, GFRP/WPCs wit…
Sequence-defined synthetic copolymers promise biological-like precision in material design, but their utility depends on the ability to read sequences directly from accessible analytical measurements. We introduce a multimodal transformer that decodes copolymer sequences from simulated UV-Vis, 1H NMR, and mass spectra…
ABSTRACT Precise work function engineering in two‐dimensional (2D) materials is pivotal for next‐generation nanoelectronic devices. However, current data‐driven approaches are often hampered by the scarcity of high‐precision data and a lack of physical interpretability. We propose a Graph‐Potential Cross‐Modal Contras…
Researchers at the Max Planck Institute for Polymer Research in Germany have published a review surveying the current state of quantum sensing that uses nitrogen-vacancy (NV) centers in nanodiamonds to detect free radicals. The review emphasizes that T1 relaxometry with NV centers can measure the local paramagnetic en…
This paper introduces a generalized two-dimensional measure-theoretic frameworkto quantify the spatial asymmetry of discrete subsets on the Euclidean plane ℝ^2.Building upon one-dimensional topological divergence, we formalize the 2D Vector Drift Operator and the dimensionless Topologically Invariant Divergence Coeffi…
Mineral-scale deposition remains a persistent flow-assurance and asset-integrity constraint in oil and gas production. Calcium carbonate, calcium sulfate, barium sulfate, iron sulfide, and mixed inorganic scale deposits reduce tubing internal diameter. They also impair near-wellbore permeability, block safety-critical…
Bimetallic nanoclusters possess tunable physicochemical properties, improved performance, and enhanced stability for versatile applications. Among them, atomically precise AuAg nanoclusters have an important position in the series of bimetallic nanoclusters thanks to the easy preparation and crystallization, unique el…
With the rapid development of electromagnetic technology, 5G communication, intelligent devices and military stealth technology, there is an ever-growing demand for high-performance microwave absorbing materials. Benefiting from low density, high electrical conductivity, excellent structural design flexibility and sup…
Gas therapy (GT) is a recently emerging approach to cancer treatment that modulates the tumor microenvironment (TME) and induces specific cytotoxicity through endogenous gas molecules. Manganese-based nanomaterials (MnNMs) are gaining significant interest as promising platforms for gas delivery and activation due to t…