Materials Literature
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Abstract λ-Dynamics simulations are used to explore differences between distinct chemical states through interpolation with a λ parameter. Existing algorithms for λ-dynamics treat the thermodynamic coupling parameter λ as an additional degree of freedom and integrate its motion along with all other physical degrees of…
Paper III — Coupling Functional, Nonlinear Foliation Dynamics, and Predictive Framework This release contains the finalized version of Paper III in the Emergent Geometry Trilogy, completing the transition from geometric construction (Paper I) and dynamical evolution (Paper II) into a fully coupled, predictive theoreti…
This upload contains the pre-print manuscript and supporting figures for the paper: "Universal Criticality and Finite-Size Scaling in Arithmetic Tensor Networks: Empirical Validation of the GUE Limit and the $\nu \approx 2/3$ Topological Phase" (PROMETEO-PRIME Part II). Abstract: Following the establishment of the cou…
Idei de a înlocui chimia ne naturală
Safe long-term management of spent nuclear fuel is a societal issue and its necessity is independent of the operation of future nuclear power plants. The design footprint (and construction cost) of geological repositories is highly dependent on the residual heat emission of the conditioned waste, causing the need for…
CrAlN PVD coatings are frequently used to protect cutting tools because of their superior hardness and wear resistance. However, the influence of carbon addition to such coatings remains largely unexplored. Therefore, Cr-Al-C-N coatings were deposited by HiPIMS using a commercial PVD unit equipped with a segmented spu…
Версия 1.0.3. Исправлено оформление списка литературы в обоих PDF препринта. Записи больше не начинаются служебной меткой вида «Abassy et al., 2024.»: метка служила для внутренней сверки ссылок и попадала в вёрстку. В английской версии из восьми записей убраны русские служебные слова, а запись Грицай и др. дана трансл…
Based on the two orthogonal regime factors, period and valence_electrons, and the two singularity regime centers, Z=20 (calcium) and Z=57 (lanthanum), identified by Tang (2026s), this paper constructs a novel “Regime Periodic Table (RPT)”—an elemental organizational framework that replaces empirical classification wit…
This paper deploys the Factor Hierarchy Law in chemistry for the first time, conducting a presupposition-free regime audit of 118 elements by exhaustively testing 27 candidate factors, 9 explained variables, 7 transformations, and 10 structural break tools, totaling over 1,600 independent tests. The core findings unfo…
InGaN/GaN quantum wells on polar substrates exhibit a pronounced quan-tum-confined Stark effect, which significantly limits their efficiency as light emitters. Surprisingly, this detrimental effect is significantly reduced when wider wells (above 10 nm) are used; their emission kinetics are the central focus of this w…
This release of OrcaQuest Lab OQL_V2 provides a standalone Windows executable for educational ORCA-based computational chemistry workflows. The release integrates the main OQL graphical interface with a structured Teaching Platform covering wave motion, hydrogenic atomic orbitals, molecular orbitals, and group theory.…
v1.3 References added This work presents Part 5 of a 6-part theoretical series examining phase-coupled resonant systems and coherence emergence in distributed oscillator networks. The paper defines a structured activation sequence through which a disordered system transitions into a stable, globally coherent state. Th…
Scattering interactions around the anode of Proton Exchange Membrane Fuel Cells (PEMFCs) play a critical role in determining their efficiency, particularly in the presence of non-monochromatic photons, which are generated by the deacceleration of charged particles formed at the surface of the anode. These photons, wit…
Abstract Nonadiabatic effects arising from the breakdown of the Born–Oppenheimer approximation govern a wide range of photoinduced processes in molecules and materials. While trajectory surface hopping has become a standard tool for simulating excited-state dynamics in molecular systems, its extension to periodic soli…
Abstract The development of multifunctional electronic skin (e-skin) requires materials that combine mechanical flexibility with responsiveness to multiple stimuli. In this work, a flexible polydimethylsiloxane (PDMS)/La0.7Sr0.3MnO3 (LSMO)/multiwall carbon nanotube (MWCNT) composite thin film was fabricated via soluti…
The structure determination of Hf 2 OF 6 and of isostructural Zr 2 OF 6 by Rietveld refinement on powder samples has surprisingly shown that these compounds have in fact a more complex formula. The Hf 5 O 2 F 16 and Zr 5 O 2 F 16 compositions are slightly richer in anions than those already published: M(O,F) 3.6 inste…
Recently, for the removal of persistent organic dyes, it is important to design more efficient and sustainable catalysts for wastewater treatment. Metal-organic frameworks (MOFs) have emerged as promising catalysts due to their tunable porosity and abundant active sites; however, poor charge transport and rapid recomb…
Data files and Matplotlib scripts that were used to generate all the plots.
ABSTRACT Ionizable lipid nanoparticles (iLNPs) are powerful platforms for mRNA-based vaccines and immunotherapies; however, their intrinsic liver tropism compromises both safety and efficacy. Off-target hepatic protein expression from delivered mRNA raises safety concerns, and hepatic clearance limits efficient iLNP d…
Abstract Pnictogen bonding (PnB) has emerged as a directional and tunable noncovalent interaction, yet the presence of multiple σ-holes on trivalent pnictogen centers introduces a question: can individual σ-holes be selectively addressed for binding, and do their relative reactivities remain unchanged upon sequential…