Materials Literature
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Abstract The wear behavior of glass crusher blades used in deposit return systems was investigated by evaluating the combined effects of material selection and surface engineering. Eight different steels were tested under simulated glass-crushing conditions using a custom-designed wear rig. Carburizing and plasma nitr…
تحلیل بنیادین، بازنویسی تانسوری و اثبات جامعِ کامل پارادوکس فرمیونهای بدون جرم و چگالی جریان فوقشدید در نانومواد نیمهفلز وایل (The Massless Weyl Fermion Paradox and Ultra-High Current Density in Nanoscale Weyl Semimetals - معمای شماره ۳۰ از ۱۰۰) در بستر فیزیک اطلاعات حمزه (HIP-1155) به شرح زیر است: ۱. مقدمه و معمای…
This paper studies phase formation, continuous comparison, and cross-state transport when the observation map varies with the state of an observer. Starting from the classical model y = h(x), we prove that a complete representation of a nontrivial family of observation maps requires an independent variable position fo…
7.16 确立了夸克质量谱的四层框架(结构层、标度层定理级;锚定层开放;分裂层方向性),并诚实声明:六夸克质量数值全部依赖外部 PDG 输入,锚定层是封闭的关键障碍。本文完成锚定层封闭的第一步与标度因子的几何分解: 1. **锚定定理(10.24.2.01)**:第一代上型夸克 $u$ 的信息界分量锁定于信息界上饱和态 $\theta_I^{\text{sat}} = \arccos(\Lambda/(k_0\Delta\Theta)) = 72.54^\circ$(定理 3.1.6.04 二分自由度 + 色单态约束 + 基态优先原则)。$u$ 的 $\sigma_I$ 由此成为框架内生输出,不再依赖 PDG 反推。 2. **代…
本文将共扼谱几何体系应用于合金设计领域。基于多体截面定理(定理 6.5.1.01)与Birkhoff混合矩阵的权重调谐机制,建立合金稳定相的几何预测理论框架。通过将合金成分比例映射为Birkhoff权重 ,并利用 的Jacobian谱半径极小值判定稳定相,为高温合金设计提供几何约束下的稳定性预测方案。本文进一步给出成分-Birkhoff权重映射的显式构造、Jacobian谱半径极小值与稳定相对应关系的证明,以及约束释放机制对高温稳定性的定量预测。
This repository contains the processed datasets and associated Python scripts used to generate the figures in the publication: “Aromatic Molecular Emitters in a Hexagonal Boron Nitride Stack” in Nano Letters. For readers’ convenience, only the processed data used directly to generate the figures in the publication are…
Two diastereoisomers of bis(mepirizole)bis(isothiocyanato-κ,N)cobalt(II) (1 and 2) are isolated from the reaction of cobalt(II) thiocyanate and mepirizole, depending on the crystallization solvent (ethanol, 1; acetonitrile, 2). In both crystal structures, the Co(II) ions exhibit distorted octahedral [CoN4N′2] environm…
The blue-to-UV upconversion of Pr 3＋ -activated phosphors is the subject of intensive research, with the influence of cutoff phonon energy and the underlying upconversion mechanisms remaining controversial. In this work, the upconversion efficiency of Sr 3 [BO 3 ] 2 (SBO) and X2-Y 2 [SiO 4 ]O (= X2-Y 2 SiO 5 , YSO), e…
Abstract Band-gap engineering in ABO₃ oxide perovskites is often achieved through cation substitution, but a large calculated change alone does not ensure chemical plausibility or thermodynamic stability. We extracted directional endpoint-substitution rules from the public Wolverton high-throughput DFT dataset using f…
Abstract Bound States in the Continuum (BICs) have attracted extensive attention in photonics owing to their ability to support ultrahigh quality factors (Q-factors). In this work, the modulation mechanisms of BICs in germanium-based all-dielectric metasurfaces with double-periodic and triple-periodic asymmetric confi…
Two-dimensional (2D) materials could replace conventional electronic components. Key advances have already been made in applying 2D materials to integrated circuits, but a robust, atomically thin ultralow-k dielectric remains crucial for further circuit scaling. Minimizing parasitic capacitances, in particular, will b…
Abstract We report the magneto-optical characterization of a homoleptic europium terpyridine complex in +3, +2, and formally 0 oxidation states. Magnetic circular dichroism (MCD) analysis of the f–f transitions of the Eu(III) complex revealed an effective D3h local symmetry in solution, higher than suggested by the so…
AutoAIM Studio is an open-source desktop application providing automated machine learning (AutoML) for materials science. It features a custom compositional featurization engine (106 physicochemical descriptors), eight ML algorithms with Bayesian hyperparameter optimization via Optuna, a visual neural network builder,…
Abstract Controlling nitrogen doping in diamond is key to advancing nitrogen-vacancy (NV) center devices. We harness the hillock, a typically undesirable surface feature, to incorporate high densities of grown-in, aligned NV centers on a (001)-oriented substrate. Enhanced cathodoluminescence at hillock sidewalls is co…
Fragment-based drug discovery (FBDD) relies heavily on the design of chemically viable linkers to connect fragments binding to different pocket regions into potent lead molecules. While recent generative models have advanced spatial fragment linking, they frequently produce linkers characterized by high torsional stra…
We provide the follwing files: input.yaml: example input script for fitting the 2-layer medium GRACE-OFF model SPICE_V2.0_cleaned.xyz: contains all structures with their corresponding energies and forces, extracted from the original SPICE v2.0 repository (https://github.com/openmm/spice-dataset/tree/main/downloader).…
Given the impracticality of using full-size masks for many analytical instruments due to their size and cost constraints, a critical first step towards advancing novel metrology for mask degradation was to develop and validate a dicing procedure suitable for (EUV-)exposed samples. Small markers were engraved prior to…
Abstract For most chemists, Kramers’ degeneracy refers to the fact that for any radical system, every potential energy surface is at least doubly degenerate (with spin up and spin down, time-reversed solutions) for all nuclear positions X. Yet, as is well-known to the community of spin chemists, one can experimentally…
Anisotropic thermal expansion in molecular crystals has predominantly been reported for low-Z' systems (Z' ≤ 2), in which only a few independent molecules occupy the asymmetric unit. In such crystals, thermal expansion is often interpreted using simplified models based on rigid molecular motion or averaged intermolecu…
We curate a large-scale dataset of low frequency dielectric anisotropy values for low molecular weight liquid crystals. Using this dataset, we demonstrate that supervised machine-learning models can predict dielectric anisotropy with substantially improved accuracy (RMSE 2.6) compared to estimates obtained from the Ma…