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The morphology of an individual particulate refers to its shape characteristics and size properties, which both play important roles for granular matter in physics, mechanics, chemistry, and biology. In this study, ellipsoidality is defined as a 3D shape index for evaluating particle roundness, and an explicit calculation method is applied. The dependences of 3D shape characteristics (aspect ratios, sphericity, and ellipsoidal degree) on particle size (ranges from 0.063 mm to 5.0 mm) are adequately investigated with the X-ray micro-computed microtomography (uCT) imaging for hundreds of thousands of particles of crushed and natural sands. This study focuses on comparing and evaluating the specific surface area and equivalent diameter, suggesting that particle segregation and changes in surface area may explain the strong dependence of particle shape on size. The correlation between different shape metrics was analyzed by comparing crushed sand with natural sand to provide theoretical support for material filling and mechanical behaviour. The significant differences in the microscale particle size indexes of different sands by single grading are used to provide data references for further analyses of the effect of material microscale on material properties in future discrete element particle simulations. [ABSTRACT FROM AUTHOR]

This study investigates the morphological evolution of river particles and their mechanical behavior during sediment transport. River particles exhibit distinct shape differences between upstream and downstream sections, with particles becoming progressively rounded downstream. The rounding process is quantitatively described using morphological indices. The analysis reveals upstream particles are more angular, while downstream particles become increasingly rounded due to erosion and abrasion, modeled by a unified abrasion function. The Loop subdivision method effectively simulates this gradual rounding process. Additionally, the Discrete Element Method (DEM) calculates the natural angle of repose for particles with varying erosion levels, showing angles ranging from 38.2° for angular particles to 34.4° for rounded particles, closely matching field observations. The numerical results effectively demonstrate the interlocking effect caused by particle morphology. This research enhances the understanding of sediment transport dynamics and provides a robust framework for modeling particle shape evolution. [ABSTRACT FROM AUTHOR]

This study introduces a novel method for particle abrasion derived from fundamental natural phenomena and mechanical principles, allowing precise control over the degree of abrasion and more accurately mimicking natural processes. The method's validity is confirmed using a specific shape index. Through conventional triaxial tests, the mechanical behavior of granular aggregates with varying degrees of abrasion was analyzed. The findings indicate that increased particle abrasion leads to a decrease in the average coordination number and sliding amount, while the rotation amount increases. This suggests an inverse relationship between the degree of abrasion and the structural stability and interlocking of the particle aggregate. The fabric anisotropy of the system is mainly attributed to the anisotropy of the contact normal force, which decreases as particle abrasion increases. The partial stress ratio of the particle system is influenced by fabric anisotropy and remains independent of particle shape. Additionally, the internal friction angle may be overestimated in conventional triaxial tests. [ABSTRACT FROM AUTHOR]

Noncarane and spiro[2.5]octane are used to determine the mechanisms of hydrocarbon hydroxylation by two mammalian and two bacterial cytochrome P450 enzymes. Results present a consistent pattern of rearrangement that supports a radical rebound mechanism for this set of cytochrome P450 enzymes.

Research has been conducted on the metalloenzyme active site models. The preparation of the robust copper complexes and the effect of the fluorine groups on their valence state and structural stability have been investigated and the results are presented.

Research shows that the use of electron-withdrawing C-F groups allows the demonstration of reversible O2 binding at a dinuclear copper centre at ambient temperatures outside a protein environment.