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Molecular State Transition Statistics

Jincheng Zhang2026-08-21Zenodo (CERN European Organization for Nuclear Research)

This paper introduces Molecular Transition Statistics (MTS), a novel approach to understanding molecular dynamics that moves beyond the traditional focus on individual reaction rates. MTS centers on the statistical probability of a molecule transitioning between different molecular states within a given state space. T…

Computational Drug Discovery MethodsAdvanced Physical and Chemical Molecular InteractionsMachine Learning in Materials Science

Molecular Symmetry Memory

Jincheng Zhang2026-08-21Zenodo (CERN European Organization for Nuclear Research)

This paper introduces the concept of "Molecular Symmetry Memory" (MSM), a novel theoretical framework proposing that individual molecules retain information about their past symmetrical states even after undergoing transformations. This concept draws an analogy to materials memory, but operates at the single-molecule…

Mechanical and Optical ResonatorsQuantum-Dot Cellular AutomataOrganic and Molecular Conductors Research

Dynamically manipulated interface polarization via symmetry engineering for self-gated electronics

Zhuangzhuang Zhang、Luying Xu、Gaobo Wang 等 9 位作者2026-08-21Science Advances

Interfaces have always been a key for functional devices in condensed-matter physic. However, dynamic regulation of interfacial symmetry and the subsequent effects have still been underestimated, especially in bulk materials. Here, we show that the interfacial crystallographic symmetry can be precisely modulated by el…

2D Materials and ApplicationsTopological Materials and PhenomenaElectronic and Structural Properties of Oxides

Inhibition of Carbon Steel Corrosion in 0.5 N Sulphuric Acid Using Ziziphus Spina-Christi Leaf Extract

Zainab Abulqasima、Roqaia Azaga、Zainab Almadani 等 4 位作者2026-08-21Journal of Pure & Applied Sciences

في هذه الدراسة، نقدم تقريراً عن أداء مركب طبيعي مستخلص من أوراق نبات السدر (Ziziphus spina-christi) باعتباره مانع تآكل صديق للبيئة ومستداماً للفولاذ الكربوني في محلول حمض الكبريتيك بتركيز 0.5 عيارى. استندت الاستراتيجية التجريبية إلى تقييم تأثير معدل التآكل الناتج عن تركيز المستخلص (حجم/حجم) (0.4 % إلى 20 %) ودرجة الحر…

Corrosion Behavior and InhibitionConcrete Corrosion and DurabilitySynthesis of Tetrazole Derivatives

Molecular Phase Information Theory

Jincheng Zhang2026-08-21Zenodo (CERN European Organization for Nuclear Research)

This paper introduces the Molecular Phase Information Theory (MPIT), a novel framework for understanding and predicting material behavior based on the concept of "phase information" rather than solely relying on molecular structure. The core premise of MPIT is that a molecule's state information is fundamentally defin…

Machine Learning in Materials ScienceShape Memory Alloy TransformationsCrystallography and molecular interactions

Broad tolerance or narrow niches – ecophysiological responses of Icelandic benthic diatoms towards abiotic variables

Lara R. Prelle、Katherina Schimani、Andreas Holzinger 等 10 位作者2026-08-21Frontiers in Ecology and Evolution

The intertidal zone of the Icelandic coast is characterized by strong seasonal and diurnal changes in the abiotic variables light, temperature and salinity, which are additionally affected by the tidal range and climate change. Iceland’s coastal zones host many phototrophic organisms including benthic diatoms that may…

Marine and coastal plant biologyDiatoms and Algae ResearchMarine and coastal ecosystems

Influence of difluoro lateral substitution on the mesomorphic and optical absorption of schiff base mesogens

Najla A. Alshaye、Yasser A. M. Ismail、Hoda A. Ahmed2026-08-21Figshare

A new series of difluoro-substituted analogues, 4-(((2,6-difluorophenyl)imino)methyl)phenyl 4-(x-alkyloxy)benzoates (DFPIMB-n), was synthesized to assess how lateral substitution and terminal alkoxy chain length affect mesomorphic behavior. Differential scanning calorimetry and polarized optical microscopy measurement…

Synthesis and Properties of Aromatic CompoundsLiquid Crystal Research AdvancementsLuminescence and Fluorescent Materials

Machine-Learning-Accelerated Rational Design of Aggregation-Induced Emission Luminogens

Wenjie Zhang、Ping‐An Yin、Qi Ou 等 4 位作者2026-08-21Journal of Chemical Theory and Computation

Abstract The rational design of aggregation-induced emission (AIE) luminogens presents a significant challenge in molecular photophysics, requiring approaches that connect mechanistic understanding with practical molecular screening. This work uses the electronic-energy difference between the S1/S0 minimum-energy coni…

Photochromic and Fluorescence ChemistrySynthesis and Properties of Aromatic CompoundsLuminescence and Fluorescent Materials

Molecular Computational Complexity

Jincheng Zhang2026-08-21Zenodo (CERN European Organization for Nuclear Research)

This paper introduces the concept of Molecular Computational Complexity (MCC), a novel framework that shifts the focus of understanding molecular behavior from computational software complexity to the inherent information requirements necessary for a molecule's formation and stability. MCC posits that a molecule's low…

Scientific Computing and Data ManagementComputational Drug Discovery MethodsMachine Learning in Materials Science

Chemical Conservation of Direction

Jincheng Zhang2026-08-21Zenodo (CERN European Organization for Nuclear Research)

This paper introduces the concept of "Reaction Direction Vector" (RDV) as a hidden quantity inherent in chemical reactions. The core idea is that reactions don't simply proceed in a single, predetermined direction; instead, they navigate a complex landscape of possible pathways. This landscape is governed by the RDV,…

Cyclization and Aryne ChemistryChemistry and Chemical EngineeringMachine Learning in Materials Science

Chemical Reality Layer Theory

Jincheng Zhang2026-08-21Zenodo (CERN European Organization for Nuclear Research)

The prevailing view in chemistry typically describes matter as constructed through a hierarchical progression: atoms forming molecules, which then assemble into materials. This model posits a single, monolithic layer structure. This paper introduces the Chemical Reality Layer Theory (CRLT), proposing a multi-layered p…

Machine Learning in Materials ScienceCrystallography and molecular interactionsSurface Chemistry and Catalysis

Measuring universal magnetocaloric scaling functions near quantum critical point

Junsen Xiang、Enze Lv、Qinxin Shen 等 22 位作者2026-08-21Reports on Progress in Physics

Abstract Near a quantum critical point (QCP), the low-temperature thermodynamics follow universal scaling laws. Using copper sulfate pentahydrate --- a canonical spin-1/2 antiferromagnetic Heisenberg chain compound--- we report the observation of a universal magnetocaloric effect (MCE) near a field-driven QCP. Remarka…

Magnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter PhysicsPhysics of Superconductivity and Magnetism

E8 Golden Ratio Root Vector Information Encoding — E8 Intelligence Research

Andrew Stewart Caldin2026-08-21Zenodo (CERN European Organization for Nuclear Research)

By imposing φ-scaled golden ratio phase rotations on the 240 E8 root vectors within the 132Hz base lattice, the geometry self-organizes into a non-Abelian information manifold where each root encodes a quantized logical state via its zero-divisor closure. This creates a deterministic yet non-periodic encoding scheme c…

Quantum Mechanics and Non-Hermitian PhysicsAdvanced Mathematical Theories and ApplicationsQuasicrystal Structures and Properties

Solute-controlled strain hardening in die-cast magnesium alloys: A comparative study of AE44, AM60, and AZ91

Trevor B. Abbott、Hua Qian Ang、Mark Easton2026-08-21Journal of Magnesium and Alloys

The strain-hardening behavior of die-cast magnesium alloys remains controversial, particularly regarding the existence of an athermal hardening stage analogous to that observed in face-centered cubic metals. In this work, the tensile deformation and strain-hardening behavior of three commercial high-pressure die-cast…

Aluminum Alloys Composites PropertiesMagnesium Alloys: Properties and ApplicationsAluminum Alloy Microstructure Properties

Head-to-tail cyclization of a peptide using a tethered homopolymer as a docking platform for ring-closing

G. Sampath2026-08-21ChemRxiv

A physical extension to chemical procedures for head-to-tail cyclization of peptides at the single molecule level that uses a charged homopolymer (such as polyglutamate Em with m residues) as a tethered docking station to close a linear peptide at its N- and C-ends is proposed. The homopolymer may be anchored in one o…

Chemical Synthesis and AnalysisSupramolecular Self-Assembly in MaterialsBiochemical and Structural Characterization

Unveiling design and optimization of β -Ga 2 O 3 FinFET for high sensitivity and reliable ammonia gas detection

Divya Babbar、Sneha Kabra2026-08-21Journal of Physics D Applied Physics

Abstract This study investigates the ammonia (NH 3 ) sensing performance capability of a beta gallium oxide ( β -Ga 2 O 3 ) fin field-effect transistor (FinFET) using cobalt (Co) as the sensing gate electrode. The high thermal and chemical stability of β -Ga 2 O 3 , integrated with the superior electrostatic control o…

Thin-Film Transistor TechnologiesGa2O3 and related materialsGaN-based semiconductor devices and materials

Tunable Quasi‐Resonances in Polypyrrole Nanodisks

Weiwei Liu、Chaoyang Kuang、V. Stanishev 等 6 位作者2026-08-21Advanced Optical Materials

ABSTRACT Redox‐tunable conducting polymers have emerged as promising materials for dynamic plasmonics and metasurfaces. However, only a few conducting polymers with particularly high conductivities (>1000 S/cm) have been reported to provide spectral regions with plasmonic behavior. Here, we use polypyrrole (PPy) as a…

Electromagnetic wave absorption materialsConducting polymers and applicationsPlasmonic and Surface Plasmon Research

Simulation-Oriented Rule-Driven Geometric Modeling of Polymer-Fiber Weft-Knitted Structures for Moisture-Transfer Prediction

Miao Miao、Nana Li、Hao Zhang 等 6 位作者2026-08-21Polymers

Polymer-fiber weft-knitted textiles are widely used in functional apparel and moisture-management materials, but their complex loop topology, yarn-level porosity, and interlayer hierarchy make simulation-oriented geometric modeling challenging. Conventional control-point and interpolated-curve methods often have limit…

3D Shape Modeling and AnalysisMechanical Behavior of CompositesTextile materials and evaluations

Single‐Phase White‐Light Emission in Eu 2+ ‐Activated UCr 4 C 4 ‐Type Phosphors via Crystallographic Site Engineering

Xiaokai Feng、Peipei Dang、Yujia Wan 等 7 位作者2026-08-21Laser & Photonics Review

ABSTRACT Single‐phase white‐emitting luminescent materials are ideal for high‐quality lighting applications. However, achieving white emission across the full spectral range in single‐dopant activated luminescent materials remains challenging. Herein, Eu 2+ ‐activated RbK 7 (Li 3 SiO 4 ) 8 :Eu 2+ (Rb 1 K 7 :Eu 2+ ) ph…

Perovskite Materials and ApplicationsLuminescence Properties of Advanced MaterialsLuminescence and Fluorescent Materials

Comparative study of gamma-ray shielding performance of TiO2-reinforced PMMA and epoxy composites using Geant4 Monte Carlo simulations

Wafa Alshammari、Sheren Alsalmi、Saad Aldawood2026-08-21Journal of Radiation Research and Applied Sciences

Polymer-based composites containing high-atomic-number fillers have attracted considerable interest as potential lead-free radiation shielding materials. However, direct comparisons of different polymer matrices under identical computational conditions remain limited, making it difficult to isolate the influence of th…

Polymer Nanocomposite Synthesis and IrradiationRadiation Shielding Materials AnalysisThermal Expansion and Ionic Conductivity