Number Of Particles Research Articles

An effective Hamiltonian for the simulation of open quantum molecular systems

We discuss the derivation of an effective Hamiltonian for open quantum many-particle systems. The aim is to define an operator that can be used for (molecular) simulations where, through the exchange of energy and matter with the surrounding environment (reservoir), the number of particles, n, becomes a variable of the problem. The Hamiltonian is formally derived from the Von Neumann equation; specifically, we derive an n-hierarchy of equations for the density matrix, ρ^n , for near equilibrium situations. Such a hierarchy, in case of stationary equilibrium, delivers the standard grand canonical density matrix as it would be expected. We report that a similar Hamiltonian was conjectured, from empirical considerations, in the field of superconductivity. Thus our result also provide a formal basis for this long-standing hypothesis. Finally, an application is discussed for Path Integral simulations of molecular systems.

Contrail Modeling of ECLIF2/ND‑MAX flights: Effects of nvPM Particle Numbers and Fuel Sulfur Content

Contrail Modeling of ECLIF2/ND‑MAX flights: Effects of nvPM Particle Numbers and Fuel Sulfur Content

Observation of nonlinear response and Onsager regression in a photon Bose-Einstein condensate

The quantum regression theorem states that the correlations of a system at two different times are governed by the same equations of motion as the single-time averages. This provides a powerful framework for the investigation of the intrinsic microscopic behaviour of physical systems by studying their macroscopic response to a controlled external perturbation. Here we experimentally demonstrate that the two-time particle number correlations in a photon Bose-Einstein condensate inside a dye-filled microcavity exhibit the same dynamics as the response of the condensate to a sudden perturbation of the dye molecule bath. This confirms the regression theorem for a quantum gas, and, moreover, demonstrates it in an unconventional form where the perturbation acts on the bath and only the condensate response is monitored. For strong perturbations, we observe nonlinear relaxation dynamics which our microscopic theory relates to the equilibrium fluctuations, thereby extending the regression theorem beyond the regime of linear response.

Erosion wear characteristics of metal seal floating ball valve in gas–solid–liquid three-phase flow

During high-pressure acid leaching, sulfuric acid slurry acts as the transportation medium in the withdrawal drum for acid pressure leaching. Over time, the metal-sealed float valve at the pipeline outlet may experience internal leakage. To address this issue, the Euler–Lagrange method for fluid dynamics is used to evaluate the corrosion wear characteristics of the valve in a three-phase flow. Specifically, we investigate the erosion and wear properties of the ball valve core as it opened and closed. To further understand how different ball valve openings impact erosion characteristics, we establish a correlation between the corrosion rate and the drag coefficient. Our research findings indicate that as the valve’s relative opening decreases from 80% to 20%, the corrosion wear rate gradually increases. In addition, the number of particles within the valve cavity also follows a similar trend. These erosion results highlight the significant influence that particle quantity has on erosion. Moreover, with an increase in particle size, both the erosion gradient range and maximum erosion rate decrease.

Predictive modelling reveals Australian continental risk hotspots for marine debris interactions with key threatened species.

Anthropogenic debris is a global threat that impacts threatened species through various lethal and sub-lethal consequences, as well as overall ecosystem health. This study used a database of over 24,000 beach surveys of marine debris collated by the Australian Marine Debris Initiative from 2012 to 2021, with two key objectives: (1) identify variables that most influence the occurrence of debris hotspots on a continental scale and (2) use these findings to identify likely hotspots of interaction between threatened species and marine debris. The number of particles found in each beach survey was modelled alongside fifteen biological, social, and physical spatial variables including land use, physical oceanography, population, rainfall, distance to waste facilities, ports, and mangroves to identify the significant drivers of debris deposition. The model of best fit for predicting debris particle abundance was calculated using a generalized additive model. Overall, debris was more abundant at sites near catchments with high annual rainfall (mm), intensive land use (km2), and that were nearer to ports (km) and mangroves (km). These results support previous studies which state that mangroves are a significant sink for marine debris, and that large ports and urbanized catchments are significant sources for marine debris. We illustrate the applicability of these models by quantifying significant overlap between debris hotspots and the distributions for four internationally listed threatened species that exhibit debris interactions; green turtle (26,868 km2), dugong (16,164 km2), Australian sea lion (2903 km2) and Flesh-footed Shearwater (2413 km2). This equates to less than 1% (Flesh-footed Shearwater, Australian sea lion), over 2% (green sea turtle) and over 5% (dugong) of their habitat being identified as areas of high risk for marine debris interactions. The results of this study hold practical value, informing decision-making processes, managing debris pollution at continental scales, as well as identifying gaps in species monitoring.

Effects of fuel and driving conditions on particle number emissions of China-VI gasoline vehicles: based on corrections to test results.

The increasing number of vehicles are emitting a large amount of particles into the atmosphere, causing serious harm to the ecological environment and human health. This study conducted the Worldwide Harmonized Light Vehicles Test Cycle (WLTC) to investigate the emission characteristics of particle number (PN) of China-VI gasoline vehicles with different gasoline. The gasoline with lower aromatic hydrocarbons and olefins reduced particulate matter (PM) and PN emissions by 24% and 52% respectively. The average PN emission rate of the four vehicles during the first 300s (the cold start period) was 7.2 times that of the 300s-1800s. Additionally, because the particle transmission time and instrument response time, the test results of instantaneous emissions of PN were not synchronized with vehicle specific power (VSP). By calculating the Spearman correlation coefficient between pre-average vehicle specific power (PAVSP) and the test results of PN instantaneous emissions, the delay time was determined as 10s. After the PN emissions results were corrected, the PN emissions were found to be more related to VSP. By analyzing the influence of driving status on emission, this study found that vehicles in acceleration mode increased PN emissions by 76% compared to those in constant speed mode.

Experimental Research on Regulated and Unregulated Emissions from E20-Fuelled Vehicles and Hybrid Electric Vehicles

Ethanol as a renewable fuel has been applied in fuel vehicles (FVs), and it is promising in hybrid electric vehicles (HEVs). This work aims to investigate the emission characteristics of ethanol applied in both FVs and plug-in hybrid electric vehicles (PHEVs). The paper conducted a real-road test of an internal combustion FV and PHEV, respectively, based on the world light vehicle test cycle (WLTC) by using gasoline and regular gasoline under different temperature conditions. The use of E10 and E20 in FVs has been effective in reducing the conventional emissions of the vehicles. At 23 °C, E10 and E20 reduced the conventional emissions including carbon monoxide (CO), total hydrocarbon compound (THC), non-methane hydrocarbon compound (NMHC), particulate matter (PM), and particulate number (PN) by 15.40–31.11% and 11.00–44.13% respectively. At 6 °C, E10 and E20 reduced conventional emissions including THC, CO, and PM by 2.15–8.61% and 11.02–13.34%, respectively. However, nitrogen oxide (NOX) emissions increased to varying degrees. The reduction trend of non-conventional emissions including methane (CH4), nitrous oxide (N2O), and carbon dioxide (CO2) from FVs fueled with E10 and E20 is not significant for vehicles. Overall, the emission reduction effect of E20 is better than that of E10, and the emission reduction effect of ethanol gasoline on vehicle emissions is reduced at low temperatures. Lower ambient temperatures increase vehicle emissions in the low-speed segment but decrease vehicle emissions in the ultra-high-speed segment. HEV emissions of THC, CO, PN, and PM are reduced by 25.28%, 12.72%, 77.34%, and 64.59%, respectively, for E20 compared to gasoline, and the use of E20 in HEVs contributes to the reduction of overall vehicle emissions.

Approach to hyperuniformity of steady states of facilitated exclusion processes

We consider the fluctuations in the number of particles in a box of size Ld in Zd , d⩾1 , in the (infinite volume) translation invariant stationary states of the facilitated exclusion process, also called the conserved lattice gas model. When started in a Bernoulli (product) measure at density ρ, these systems approach, as t→∞ , a ‘frozen’ state for ρ⩽ρc , with ρc=1/2 for d = 1 and ρc<1/2 for d⩾2 . At ρ=ρc the limiting state is, as observed by Hexner and Levine, hyperuniform, that is, the variance of the number of particles in the box grows slower than Ld . We give a general description of how the variances at different scales of L behave as ρ↗ρc . On the largest scale, L≫L2 , the fluctuations are normal (in fact the same as in the original product measure), while in a region L1≪L≪L2 , with both L 1 and L 2 going to infinity as ρ↗ρc , the variance grows faster than normal. For 1≪L≪L1 the variance is the same as in the hyperuniform system. (All results discussed are rigorous for d = 1 and based on simulations for d⩾2 .)

Equivalent temperature for coarse-grained simulations of graphene

At the same temperature, a coarse-grained model and its all-atom counterpart exhibit different kinetic energy due to a reduction of the number of particles in the coarse-grained model, hence they are not equivalent to each other. A simple method is proposed to investigate the mechanical properties of monolayer, bilayer and trilayer graphene sheets through coarse-grained molecular dynamics simulations at an equivalent temperature, which is determined from the temperature of the all-atom model and the number of particles in both models. It is found that coarse-grained simulations of graphene at the equivalent temperature is able to reproduce well the tensile mechanical properties of its all-atom counterpart even at high temperatures.

Identification and Root Cause Analysis of the Visible Particles Commonly Encountered in the Biopharmaceutical Industry.

Visible particle is an important issue in the biopharmaceutical industry, and it may occur across all the stages in the life cycle of biologics. Upon the occurrence of visible particles, it is often necessary to conduct chemical identification and root cause analysis to safeguard the safety and efficacy of the biotherapeutic products. In this article, we present a number of typical particles and relevant root cause analysis in the categories of extrinsic, intrinsic and inherent particles that are commonly encountered in the biopharma industry. In particular, the optical images of particles obtained both in situ and after isolation are provided, along with the spectral and elemental information. The particle identification was carried out with multiple microscopic and microspectroscopic techniques, including stereo optical microscopy, Fourier transform infrared microscopy, confocal Raman microscopy, scanning electron microscopy and energy dispersive X-ray spectroscopy. Both commercial and in-house spectral databases were used for comparison and identification. In addition to particle identification, our significant efforts are placed on the root cause analysis of the addressed particles with the intention to provide a relatively whole picture of the particle related issues and practical references to particle mitigation for our peers in the biopharmaceutical industry.

Molecular Origins of Turbulence

The twin problems of closure and dissipation have been barriers to the analytical solution of the Navier–Stokes equation for fluid flow by top-down methods for two centuries. Here, the statistical multifractal analysis of airborne observations is used to argue that bottom-up approaches based on the dynamic behaviour of the basic constituent particles are necessary. Contrasts among differing systems will yield scale invariant turbulence, but not with universal analytical solutions to the Navier–Stokes equation. The small number of publications regarding a molecular origin for turbulence are briefly considered. Research approaches using suitable observations are recommended.

Stratospheric transport and tropospheric sink of solar geoengineering aerosol: a Lagrangian analysis

Stratospheric aerosol injection (SAI) aims to reflect solar radiation by increasing the stratospheric aerosol burden. To understand how the background circulation influences stratospheric transport of injected particles, we use a Lagrangian trajectory model (lacking numerical diffusion) to quantify particles’ number, flux, lifetime, and tropospheric sinks from a SAI injection strategy under present-day conditions. While particles are being injected, stratospheric particle number increases until reaching a steady-state. During the steady-state, the time series of particle number shows a dominant period of ~2 years (rather than a 1-year cycle), suggesting modulation by the quasi-biannual oscillation. More than half of particles, injected in the tropical lower stratosphere (15° S to 15° N, 65 hPa), undergo quasi-horizontal transport to the midlatitude. We find a zonal asymmetry of particles’ tropospheric sinks that are co-located with tropopause folding beneath the midlatitude jet stream, which can help predict tropospheric impacts of SAI (e.g., cirrus cloud thinning).

Optical matter based on graphene surface plasmons.

In this work, we have proposed a graphene planar structure as an optical binding device of dielectric nanoparticles. Surface plasmons (SPs) on a graphene sheet, generated thanks to the near field scattering of the incident plane wave by the nanoparticles placed close to the graphene sheet, act as a powerful intermediary for enhancing the optical force between nanoparticles to organize the particle structure at length scales comparable with the plasmon wavelength, i.e., at the light sub-wavelength scale. In particular, we have paid attention to the formation of one-dimensional arrays of nanoparticles. Our results show that both the equilibrium separation between particles and the energy potential binding depend on the number of particles forming the array and that the former tends to the plasmon wavelength (the array constant) for a number of particles large enough. We have obtained simple analytical expressions that explain the main results obtained by using the rigorous theory. Our contribution can be valuable for the knowledge in the low-frequency optical binding framework, from terahertz to far-infrared spectrum.

Red blood cell-derived extracellular vesicles from type 2 diabetes patients induce endothelial dysfunction through a mechanism involving arginase 1

Abstract Funding Acknowledgements Type of funding sources: Foundation. Main funding source(s): Foundation for Geriatric Diseases Karolinska Institutet (2023-01860). Swedish Heart and Lung Foundation (20220210) Background The mechanisms driving the development of cardiovascular injury in type 2 diabetes (T2D) remain incompletely understood. We have recently demonstrated that red blood cells (RBCs) from patients with T2D (T2D-RBCs) act as mediators of endothelial dysfunction through the upregulation of arginase 1 and attenuation of nitric oxide bioavailability. However, the underlying mechanisms of this interaction remain unknown. It is increasingly clear that extracellular vesicles (EVs) are actively secreted by practically all cell types, including RBCs, and represent a novel mechanism of intercellular communication. However, the involvement of RBC-derived EVs in the development of endothelial dysfunction in T2D remains to be elucidated. Purpose To test the hypothesis that EVs are secreted by RBCs and transfer signalling to induce endothelial dysfunction in T2D through arginase 1. Methods EVs released from T2D-RBCs (T2D-RBCs EVs) and RBCs from age-matched healthy controls (H-RBCs EVs) were isolated using sequential ultracentrifugation or a membrane affinity column, co-incubated with mouse aortae to evaluate endothelium-dependent relaxation (EDR), and with human carotid artery endothelial cells (HCtAEC) to study the EV uptake and alteration in gene expression. EVs were characterized based on morphology, size and particle number, uptake in endothelial cells, and arginase 1 content. Functional involvement of EV uptake and arginase were investigated using pharmacological interventions. Arginase 1 was measured in EVs, HCtAEC, and mouse aortae after co-incubation with H-RBCs EVs and T2D-RBCs EVs. Results The uptake of T2D-RBCs EVs by endothelial cells was greater than that of EVs from H-RBCs (Fig. 1A, B) despite the reduced formation of EVs by T2D-RBCs (Fig. 1C). T2D-RBCs EVs significantly impaired EDR (Fig. 1D), and this impairment was prevented by inhibiting uptake of EVs with heparin (Fig. 1E). Arginase 1 was detected in RBC-derived EVs (Fig. 2A), and endothelial function was rescued by blocking arginase activity in EVs by the arginase inhibitor 2(S)-amino-6-boronohexanoic acid (ABH; Fig. 2B). Immunohistochemical staining revealed upregulation of arginase 1 in the vasculature following incubation with T2D-RBCs EVs (Fig. 2C, D). Additionally, co-incubation of HCtAEC and EVs derived from T2D-RBCs significantly increased endothelial cell arginase 1 (Fig. 2E, F). Administration of ABH to the aortae following the co-incubation also attenuated the impairment of EDR induced by T2D-RBCs EVs, suggesting the involvement of vascular arginase 1 (Fig. 2G). Conclusion T2D-RBCs EVs induce endothelial dysfunction. In addition to increased uptake of EVs in endothelial cells, the signalling behind this effect of EVs is mediated by arginase 1 to induce endothelial dysfunction. These results shed new important light on the mechanism underlying vascular injury mediated by RBCs in T2D.

Microplastic Content in Fish and Sea Water at Air Tawar Coast, Padang City, Indonesia

Every year, millions of tons of plastic contaminate marine ecosystems, disrupting the natural balance and endangering marine life. Marine debris, especially plastic, is exposed to sunlight and repeated physical activities in the ocean, eventually breaking down into microscopic particles known as microplastics. This research aims to identify the presence of microplastics in fish and seawater at Air Tawar Coast, Padang City, Indonesia, based on their shapes, colors, and sizes. Seawater samples were collected at 3 stations using purposive random sampling along the direction of net trawling. Water samples were collected using a plankton net and filtered horizontally at the sea surface. Fish samples were obtained from the catches of fishermen, using trawl net (maelo pukek). The fish sampled were Selar and Kembung fish. Microplastics found in seawater and fish exhibited various shapes, including fibers, films, fragments, and pellets, with pellets and granules being the most dominant shapes. The colors of microplastics found in this study were black, brown, red, orange, blue, yellow, green, and purple, with dark colors (black and brown) being the most dominant. The abundance of microplastics at station 1 was 140.12 particles/m3, at station 2 was 151.27 particles/m3, and at station 3 was 129.61 particles/m3. The number of microplastic particles found in Kembung was higher than in Selar. On average, Selar fish contained 228 particles/individual, while Kembung fish contained an average of 267.5 particles/individual. The smallest particle size was found in pellet form, with a size of 8.12 µm, while the largest particle size was found in film form, measuring 174.56 µm.

Impact of electron beam welding on the microstructure of PM2000 ODS steel

This work investigated the impact of electron beam (EB) welding, using various traverse speeds of the electron beam (1200–2200 mm/min), on the microstructure of PM2000 ODS steel which was characterized using analytical electron microscopy and microhardness. The different heat inputs during welding explored in this study (72–39 J/mm), related to the traverse speed used, correlated with small differences in the widths of the fusion zone. Only minor differences in local microstructures and hardness of the fusion zones were detected amongst the four butt welds produced. The fusion zone is characterized by large columnar grains in the ferritic matrix, together with a coarsened Y-Al-O particle distribution and a reduction in its particle number density as compared to the base material. There is also a sharp border between the fusion zone and base material, with the joint showing little evidence of a heat-affected zone. These changes in microstructure during welding led to a hardness reduction of ∼30 % in the fusion zone of the welds with respect to the base material.

Exploring the Regimes of Particle Behavior upon Impact via the Discrete Element Method.

Discrete element method simulations are conducted to probe the various regimes of post-impact behavior of particles with solid surfaces. The impacting particles are described as spherical agglomerates consisting of smaller constituent (or primary) particles held together via surface adhesion. Under the influence of a wide range of impact velocities and particle surface energies, five distinct behavioral regimes-rebounding, vibration, fragmentation, pancaking, and shattering-are identified, and force transmission patterns are linked to post-impact behavior. In the rebounding regime, the coefficient of restitution decreases linearly as impact velocity increases and the particle agglomerate experiences compaction. In the fragmentation regime, rebound velocity generally decreases with increasing fragment size. The rebound velocity of fragments decreases with time except for the smallest fragments, which can increase in velocity due to collisions with other fragments of high velocity. Particle breakage in the pancaking regime does not follow common mechanistic models of breakage.

The Dynamics of the Hubbard Model Through Stochastic Calculus and Girsanov Transformation

As a typical quantum many body problem, we consider the time evolution of density matrix elements in the Bose-Hubbard model. For an arbitrary initial state, these quantities can be obtained from an SDE or stochastic differential equation system. To this SDE system, a Girsanov transformation can be applied. This has the effect that all the information from the initial state moves into the drift part, into the mean field part, of the transformed system. In the large N limit with g=UN\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$g=UN$$\\end{document} fixed, the diffusive part of the transformed system vanishes and as a result, the exact quantum dynamics is given by an ODE system which turns out to be the time dependent discrete Gross Pitaevskii equation. For the two site Bose-Hubbard model, the GP equation reduces to the mathematical pendulum and the difference of expected number of particles at the two lattice sites is equal to the velocity of that pendulum which is either oscillatory or it can have rollovers which then corresponds to the self trapping or insulating phase. As a by-product, we also find an equivalence of the mathematical pendulum with a quartic double well potential. Collapse and revivals are a more subtle phenomenom, in order to see these the diffusive part of the SDE system or quantum corrections have to be taken into account. This can be done with an approximation and collapse and revivals can be reproduced, numerically and also through an analytic calculation. Since expectation values of Fresnel or Wiener diffusion processes, we write the density matrix elements exactly in this way, can be obtained from parabolic second order PDEs, we also obtain various exact PDE representations. The paper has been written with the goal to come up with an efficient calculation scheme for quantum many body systems and as such the formalism is generic and applies to arbitrary dimension, arbitrary hopping matrices and, with suitable adjustments, to fermionic models.

Scattering matrices of particle ensembles analytically decomposed into pure Mueller matrices

Scattering matrices of particle ensembles are analytically decomposed into sums of pure Mueller matrices. The ensembles are assumed to have equal numbers of particles and their mirror particles, both in random orientation. In the general case, there are four pure Mueller matrices in the decomposition. In the present spectral decomposition, of these four matrices, there is a single matrix that qualifies as a scattering matrix, whereas the remaining three matrices represent other classes of pure matrices. For ensembles of spherical particles, there are two pure Mueller matrices in the decomposition. Again, there is a single matrix qualifying as a scattering matrix. The analytical decomposition unveils the explicit dependencies of the pure Mueller matrices on the ensemble-averaged scattering matrix. Applications are identified in scattering by single particles and by random media of particles.

Preparation of entangled W states based on cavity QED system

Abstract In this paper, we present a qubit-loss-free(QLF) fusion scheme for generating large-scale atom W states in cavity quantum electrodynamics(QED) system. Compared to the most current fusion schemes which are conditioned on the case where one particle can be extracted from each initial W state to fusion process, our scheme will access one or two particles from each W state. Based on the atom-cavity-field detuned interaction, three |W&gt; n+m+t states can be generated from |W&gt; n , |W&gt; m and |W&gt; t state with the help of two auxiliary atoms, three |W&gt; n+m+t+q states can be generated from |W&gt; n , |W&gt; m , |W&gt; t and a |W&gt; q state with the help of three auxiliary atoms. Comparing the numerical simulations of the resource cost of fusing three small-size W states based on the precious schemes with those based ours, our fusion scheme seems more efficient. This QLF fusion scheme can be generalized to the case of fusing k different or inentical particles W states. Furthermore, with no qubit loss, it greatly reduces the number of fusion steps and prepare W states with larger particle numbers.