Manifestation of Energy and Entropy of Particles in a Box

The energy and entropy, expressed in free energy, determine the behavior of a system. Therefore, infinite knowledge of these two quantities leads to precise prediction of the system's trajectories. Here, we study how the energy and entropy affect the distribution of a two-component system in a box. First, using a model, we intuitively show that large particles prefer to position at contact with the wall as it accompanies an increase of the system's entropy. We intuitively show that this is a consequence of maximizing the accessible states for fluctuating degrees of freedom as a portion of excluded volumes reside outside of the box when they locate near the wall. Then we employ molecular dynamics simulations to extract the effect of entropy and energy on the binary mixture distribution and how they compete with each other to determine the system's configuration. While particle-particle and particle-wall attraction energies affect the distribution of particles, we show that the emergent entropic forces --- quasi-gravitational --- have a significant contribution to the configuration of the system. This system is realized clearly for a binary mixture of hard spheres in a box with reflective walls.

Numerical Analysis of Effects of Specularity Coefficient and Restitution Coefficient on the Hydrodynamics of Particles in a Rotating Drum

Various simulations have been conducted to understand the macroscopic behavior of particles in the solid-gas flow in rotating drums in the past. In these studies, the no-slip wall boundary condition and fixed restitution coefficient between particles were usually adopted. The paper presents a numerical study of the gas-solid flow in a rotating drum to understand the effect of the specularity coefficient and restitution coefficient on the hydrodynamic behavior of particles in the segregation process. The volume fraction, granular pressure, granular temperature and their relationships are examined in detail. The boundary conditions of the no-slip and specularity coefficient of 1 are compared. In the simulations, two different sizes of particles with the same density are considered and the Eulerian–Eulerian multiphase model and the kinetic theory of granular flow (KTGF) are used. The results reveal that the hydrodynamical behavior of the particles in the rotating drum is affected by the boundary condition and restitution coefficient. In particular, the increase of specularity coefficient can increase the active region depth, angle repose, granular pressure for both small and large particles and granular temperature for large particles. With increasing restitution coefficient, the angle of repose decreases and granular pressure and temperature increase at the same volume fraction for both small and large particles.

Optimization of a Solution Treatment in the Al-Cu-Mg-Ag Alloy via a Microstructural Investigation

We investigated the effect of solution temperature (Tsol. = 440–530 °C) on the mechanical properties of the Al–3.4Cu–0.34Mg–0.3Mn–0.17Ag alloy, finding that the investigated Al alloy showed the highest mechanical strength of σUTS = ~329 MPa at a Tsol. value of 470 °C. The microstructural investigation demonstrates that the mechanical properties for different Tsol. values stem from grain growth, precipitation hardening, and the formation of large particles at the grain boundaries. On the basis of Tsol. = 470 °C, the effect of each microstructural evolution is significantly different on the mechanical properties. In this study, the relationships between the microstructural evolution and the mechanical properties were investigated with respect to different values of Tsol.

Effect of Arc Currents on the Mechanical, High Temperature Oxidation and Corrosion Properties of CrSiN Nanocomposite Coatings

In methods for multi-arc ion plating technology, the behavior and characteristics of the arc spot determine the physical characteristics of arc plasma and the properties of the subsequent deposited coatings. In this paper, the effect of arc currents on the hardness, friction coefficient, high temperature oxidation, and corrosion properties of the CrSiN coatings was studied. According to the XRD and SEM results, with the increase of arc currents, the coatings grew preferentially to the CrN (111) crystal direction, and the CrN (220) crystal phase appeared at high currents of 90 A. In addition, the number of large particles increased when the current exceeded 70 A. The HR-TEM results confirmed the formation of nanocomposite structure of nanocrystalline of CrN embedded into the amorphous phase of Si3N4 as explored by XRD. The maximum hardness was achieved at 3120 Hv when the coatings were deposited under currents around 70 A. However, the hardness values decreased with further increase of arc currents. From the contact of ceramic balls with the wear of coatings, the surface of coatings gradually produced friction marks, and the friction force increased from a steady friction force to a dynamic friction force. The high temperature oxidation results showed that fewer oxides were formed on the surface of the coatings when oxidized at 800 °C. It was also found that CrSiN nanocomposite coatings prepared at an arc current of 70 A had a larger corrosion potential and polarization impedance, which could effectively protect the tool matrix.

Production of ammonia makes Venusian clouds habitable and explains observed cloud-level chemical anomalies

The atmosphere of Venus remains mysterious, with many outstanding chemical connundra. These include the unexpected presence of ∼10 ppm O2 in the cloud layers, an unknown composition of large particles in the lower cloud layers, and hard to explain measured vertical abundance profiles of SO2 and H2O. We propose a hypothesis for the chemistry in the clouds that largely addresses all of the above anomalies. We include ammonia (NH3), a key component that has been tentatively detected both by the Venera 8 and Pioneer Venus probes. NH3 dissolves in some of the sulfuric acid cloud droplets, effectively neutralizing the acid and trapping dissolved SO2 as ammonium sulfite salts. This trapping of SO2 in the clouds, together with the release of SO2 below the clouds as the droplets settle out to higher temperatures, explains the vertical SO2 abundance anomaly. A consequence of the presence of NH3 is that some Venus cloud droplets must be semisolid ammonium salt slurries, with a pH of ∼1, which matches Earth acidophile environments, rather than concentrated sulfuric acid. The source of NH3 is unknown but could involve biological production; if so, then the most energy-efficient NH3-producing reaction also creates O2, explaining the detection of O2 in the cloud layers. Our model therefore predicts that the clouds are more habitable than previously thought, and may be inhabited. Unlike prior atmospheric models, ours does not require forced chemical constraints to match the data. Our hypothesis, guided by existing observations, can be tested by new Venus in situ measurements.

Angle-dependent effects in Dynamic Light Scattering measurements of polydisperse particles

Dynamic light scattering (DLS) is widely used for analyzing biological polymers and colloids. Its application to nanoparticles in medicine is becoming increasingly important with the recent emergence of prominent lipid nanoparticle-(LNP)based products, such as the SARS-CoV-2 vaccines from Pfizer, Inc.-BioNTech (BNT162b2) and Moderna, Inc. (mRNA-1273). DLS plays an important role in the characterization and quality control of nanoparticle-based therapeutics and vaccines. However, most DLS instruments have a single detection angle ,and the amplitude of the scattering vector, q, varies among them according to the relationship q=(n/sin(/2) where 0 is the laser wavelength. Results for identical, polydisperse samples among instruments of varying q yield different hydrodynamic diameters, because, as particles become larger they scatter less light at higher angles, so that higher-q instruments will under-sample large particles in polydisperse populations, and report higher z-average diffusion coefficients, and hence smaller effective hydrodynamic diameters than lower-q instruments. As particle size reaches the Mie regime the scattering envelope manifests angular maxima and minima, and the monotonic decrease of average size versus q is lost. This work examines results for different q-value instruments, using mixtures of monodisperse latex sphere standards, for which experimental measurements agree well with computations, and also polydisperse solutions of LNP, for which results follow expected trends. Mie effects on broad unimodal populations are also considered. There is no way to predict results between two instruments with different q for samples of unknown particle size distributions.

EFFECT OF THE N2/Ar FLOW RATIO ON THE MICROSTRUCTURE AND MECHANICAL PROPERTIES OF TiSiCN COATINGS

TiSiCN coatings were prepared with the multi-arc ion plating and magnetron sputtering technique. The effect of the N2/Ar flow ratio on the properties of TiSiCN coatings was studied using scanning electron microscopy (SEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and a friction and wear tester (UMT-3). With an increase in the N2/Ar flow ratio, the number of large particles on the surface first increases and then decreases. The intensity of the TiN (200) diffraction peak increases gradually, while the grain size first decreases and then increases. A TiSiCN coating consists of Ti (N, C) nanocrystallites, amorphous SiC, Si3N4 and carbon. When the N2/Ar flow ratio is 5 : 1, the coating exhibits the highest hardness and excellent wear resistance.

Parameters of crushing process of fibrous plant raw material: experimental results

The energy-efficient crushing of dried fibrous plant materials is usually hampered when the sieve holes of the crushing unit are clogged with not-grinded particles. The purpose of the study was to investigate the crushing process of dried plant raw material and determine the effect of the operating modes of a crushing unit on the crushing quality and energy consumption. The experimental tool was a rotary crushing unit with alternate knives and hammers. The objects of crushing were dried leafy mass of grass. There has been found that when the linear speed of the rotor knives rises, the fractional composition of the crushed product changes, namely, the proportion of fine fraction (less than 1.3 mm) increases and the proportion of large particles (more than 1.3 mm) reduces. The rise of the knives speed results in productivity improvement, but increases energy consumption of crushing as well. The optimal range of changing the knives’ speed was 55…65 m·s-1 to obtain a product of the required fractional composition. The use of the method of crushing dried fibrous plant materials and a rotary crushing unit will allow organizing energy-efficient crushing of dried leafy stem mass.

Discrepancy of particle passage in 101 mask batches during the first year of the Covid-19 pandemic in Germany

During the first wave of Covid-19 infections in Germany in April 2020, clinics reported a shortage of filtering face masks with aerosol retention> 94% (FFP2 & 3, KN95, N95). Companies all over the world increased their production capacities, but quality control of once-certified materials and masks came up short. To help identify falsely labeled masks and ensure safe protection equipment, we tested 101 different batches of masks in 993 measurements with a self-made setup based on DIN standards. An aerosol generator provided a NaCl test aerosol which was applied to the mask. A laser aerosol spectrometer measured the aerosol concentration in a range from 90 to 500 nm to quantify the masks’ retention. Of 101 tested mask batches, only 31 batches kept what their label promised. Especially in the initial phase of the pandemic in Germany, we observed fluctuating mask qualities. Many batches show very high variability in aerosol retention. In addition, by measuring with a laser aerosol spectrometer, we were able to show that not all masks filter small and large particles equally well. In this study we demonstrate how important internal and independent quality controls are, especially in times of need and shortage of personal protection equipment.