Materials Literature
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Abstract Understanding the relationship between structure and shock response in metallic systems is essential for developing reliable materials in extreme environments. Here, molecular dynamics (MD) simulations are utilized to investigate the shock behavior of Al-Ni solid solutions, intermetallics, and composites acro…
We complete the third pillar of the N.E.A. (Network EmergentArchitecture) framework: the unified settlement of physical constantsand the formal definition of universal value. We prove the Sole BosonTheorem—the photon is the unique fundamental carrier of interactionin the universe. The gauge groups of the four forces—U…
Abstract Shortwave infrared (SWIR) photodetectors are crucial for emerging technologies such as autonomous driving, smart agriculture, industrial inspection, and eye-safe LiDAR. Colloidal indium arsenide (InAs) quantum dots (QDs) offer a low-cost, RoHS-compliant alternative to epitaxial III–V semiconductors. But their…
ABSTRACT Plastic biodegradation in natural environments is increasingly recognized as a multi-organism process, yet the mechanisms enabling coordinated depolymerization and metabolism of polyethylene terephthalate (PET) remain poorly understood. Previously, we demonstrated that a full consortium containing three Pseud…
Optical phonons naturally generate linear-in-temperature ( T T ) resistivity in the equipartition regime, but their finite gap prevents this mechanism from surviving to asymptotically low temperatures. Here we analyze whether proximity to an electronic quantum critical point can remove this obstruction by strongly sof…
Abstract Structure and dynamics of a polymer gets significantly altered under confinement. By means of molecular dynamics simulations using the deterministic Nosé–Hoover thermostat (NHT) and stochastic Langevin thermostat (LT), we explore the effect of cylindrical confinement on the collapse kinetics of a homopolymer…
Recent experiments on crosslinked elastomers quenched from solvent-rich to solvent-poor conditions show solvent-rich domains embedded in a gel-rich matrix. These domains coarsen and then undergo kinetic arrest at micron scales for hours, before macroscopic drainage to equilibrium over even longer times. Motivated by t…
A porous electrode interfaced with an electrolyte does not have necessarily constant electrical properties along its thickness. For instance, the front of the electrode may age at a different rate than that of the back, which results in different oxidative states of the electrode's solid matrix along its thickness and…
Abstract Flavour perception is a complex and critical biological process in the food industry in general and in beer production in particular. Taste is influenced by the simultaneous interaction of a large number of molecules present in food and beverages with specific receptors present on the taste buds of the tongue…
Abstract The connection problem for isomonodromic tau functions on the one-punctured torus concerns the ratio between the tau function and its modular transform, associated to dual pants decompositions of the torus. In this paper, we study the modular transformations of the tau function and consequently derive the con…
This paper introduces the concept of Atomic Relationship Conservation (ARC), a refined approach to chemical reaction analysis that extends beyond the traditional principle of mass conservation. While mass conservation (∑mproducts = ∑mreactants) provides a fundamental constraint, it fails to capture the intricate struc…
ABSTRACT The design of energy materials that rely on ion transport is dominated by a diffusion‐first strategy: increase defect concentration, lower the average migration barrier, and improve microstructure. Although effective in many systems, this approach also creates disorder and spreads transport over many weak and…
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…
In this paper , there is a comparative analysis of the computations in chemistry about the structures and properties of paracetamol (S1) and its two series of derivatives: alkyl derivatives such as phenacetin (S2), N-(4-propoxyphenyl)acetamide (S3), and N-(4-butoxyphenyl)acetamide (S4), along with the sulfate derivati…
Biodegradable polyurethane can be produced from sustainable feedstocks such as waste sunflower cooking oil, which is often used for biodiesel production. This work describes the synthesis, characterization, and optimization of sustainable, mixed petroleum-sunflower polyol alongside their optimization. Polyol productio…
Solar energy is a renewable and abundant energy source that is a natural choice for an energy mix with resilient energy production. The concept of luminescent solar concentrators (LSCs) was invented in the 1960-1970s but was at that time too expensive. Today the LSC concept can be motivated by the attraction of colour…
Mesoporous silica nanoparticles (MSNs) have emerged as versatile nanocarriers for biomedical applications because of their unique physicochemical properties, including high surface area, large pore volume, excellent drug-loading capacity, controllable biodegradation, and facile surface functionalization. These charact…
The aim of the study was to synthesize nanocomposites based on cerium orthophosphate stabilized with citrate at different ratios for biomedical applications, and to evaluate its safety in different animal species. Nanocomposites were synthesized using four different initial mass ratios of Ce(NO3)3 × 6H2O to citric aci…
The field of computational chemistry relies heavily on models – quantum chemical methods, molecular dynamics simulations, and machine learning potential energy surfaces – to predict the behavior of chemical systems. However, these models are inherently approximations, and their validity is often tied to the specific s…
Abstract A comprehensive study on structural, surface morphology, optical properties of spray-deposited nickel oxide (NiO) thin films derived from different precursor salts is presented. All the samples were prepared at a solution molarity of 0.05 M and a glass substrate temperature of 450 $$\:^\circ\:$$ C. XRD analys…