Molecular Dynamics, Physical Properties, Diffusion Coefficients and Activation Energy of the Lithium Oxide (Li-O) and Sodium Oxide (Na-O) Electrolyte (Cathode)

This work is a simulation model with the LAMMPS calculation code of an electrode based on alkali metal oxides (lithium, sodium and potassium) using the Lennard Jones potential. For a multiplicity of 8*8*8, we studied a gap-free model using molecular dynamics. Physical quantities such as volume and pressure of the Na-O and Li-O systems exhibit similar behaviors around the thermodynamic ensembles NPT and NVE. However, for the Na2O system, at a minimum temperature value, we observe a range of total energy values;in contrast, for the Li2O system, a minimum energy corresponds to a range of temperatures. Finally, for physicochemical properties, we studied the diffusion coefficient and activation energy of lithium and potassium oxides around their melting temperatures. The order of magnitude of the diffusion coefficients is given by the relation Dli-O >DNa-O for the multiplicity 8*8*8, while for the activation energy, the order is well reversed EaNa-O > EaLi-O.

Molecular Dynamics, Diffusion Coefficients and Activation Energy of the Electrolyte (Anode) in Lithium (Li and Li+), Sodium (Na and Na+) and Potassium (K and K+)

This work is a simulation modelling with the LAMMPS calculation code of an electrode based on alkali metals (lithium, sodium and potassium) using the MEAM potential. For different multiplicities, two models were studied;with and without gap. In this work, we present the structural, physical and chemical properties of the lithium, sodium and potassium electrodes. For the structural properties, the cohesive energy and the mesh parameters were calculated, revealing that, whatever the chemical element selected, the compact hexagonal hcp structure is the most stable, followed by the face-centred cubic CFC structure, and finally the BCC structure. The most stable structure is lithium, with a cohesion energy of -6570 eV, and the lowest bcc-hcp transition energy of -0.553 eV/atom, followed by sodium. For physical properties, kinetic and potential energies were calculated for each of the sectioned chemical elements, with lithium achieving the highest value. Finally, for the chemical properties, we studied the diffusion coefficient and the activation energy. Only potassium followed an opposite order to the other two, with the quantities with lacunae being greater than those without lacunae, whatever the multiplicity. The order of magnitude of the diffusion coefficients is given by the relationship DLi > DNa > Dk for the multiplicity 6*6*6, while for the activation energy the order is reversed.

Determination of Natural Logarithm of Diffusion Coefficient and Activation Energy of Thin Layer Drying Process of Ginger Rhizome Slices

This study is an extension of the previous work done with ARS-680 Environmental Chamber. Drying is a complex operation that demands much energy and time. Drying is essentially important for preservation of ginger rhizome. Drying of ginger was modeled, and then the effective diffusion coefficient and activation energy were determined. For this purpose, the experiments were done at six levels of varied temperatures: 10°C, 20°C, 30°C, 40°C, 50°C and 60°C. The values of effective diffusion coefficients obtained in this work for the variously treated ginger rhizomes closely agreed with the average effective diffusion coefficients of other notable authors who determined the drying kinetics and convective heat transfer coefficients of ginger slices.

Identification of the Diffusion Coefficients of Pollutants ( N O 3 - and Mn2+) through the Walls of Concrete Tank and Vulnerability of the Stored Water Quality

The populations of urban centers in Congo-Brazzaville have decided to develop various methods of water storage (concrete or masonry underground tanks) for domestic use, due to shortages in the distribution of water through the public network. However, questions remain as to the physico-chemical quality of the water stored in these tanks, when these structures are built in wet and relatively polluted areas. This paper presents a model of pollutant diffusion through the cementitious matrix (concrete) of tank walls simulated at a buried reservoir. The results of the experimental and numerical simulations show that certain concrete parameters, such as porosity, permeability and diffusivity, have a significant influence on the transfer of pollutants through the concrete walls, thus altering the physico-chemical quality of the stored water. The numerical models (1D) used to predict pollutant transfer and the quality of the stored water are consistent with those of the optimal control for identifying the diffusion coefficient. Major ion concentrations appear to be correlated with system porosity and diffusion coefficient. Nevertheless, the identification of the diffusion coefficient from the optimal control method, based on an explicit numerical resolution of a finite volume PDE for the approximation of the experiment, is not consistent with that of the optimal control method.

Effect of Size and Initial Water Content on the Effective Diffusion Coefficient during Convective Drying of Sweet Potato Cut into Cubic and Cylindrical Shapes

In this article, we investigated the influence of size and initial water content on the effective diffusion coefficient of sweet potatoes samples cut into cubic and cylindrical shapes. The sizes of the cubic samples are 0.5, 1, 1.5, 1.75, 2, 2.5 and 3 cm edge with a respective initial water content of 2.7, 3.76, 3.48, 2.68, 3.28, 2.17 and 2.29 kg/kgms. For cylindrical samples, the radius is set at 0.5 cm and sample heights are 1, 1.5, 2, 2.5, 3, 3.5 and 4 cm with respective water contents of 2.2, 3.19, 2.85, 2.1, 2.17, 2.39 and 2.03 kg/kgms. The effective diffusion coefficients of cubic samples are of the order of 10−10 and 10−9 m2∙s−1 grew with sample edge. As for the cylindrical samples, the effective diffusion coefficients were of the order of 10−9 m2∙s−1 and there was no linear correlation between cylinder height and their effective diffusion coefficient. As for the examination of the initial water content on the effective diffusion coefficient, it turned out that the initial water content had no influence on the effective diffusion coefficient of the sweet potato samples.

Strong Feller Property for SDEs with Super-linear Drift and Hölder Diffusion Coefficients

In this paper,we investigate the strong Feller property of stochastic differential equations(SDEs)with super-linear drift and Hölder diffusion coefficients.By utilizing the Girsanov theorem,coupling method,truncation method and the Yamada-Watanabe approximation technique,we derived the strong Feller property of the solution.

GAN与Diffusion在传统纹样设计中的实验研究

传统纹样是中国优秀传统文化的重要组成部分,传统人工设计已经无法满足纹样的现代设计需求,生成式AI为传统纹样设计提供了新的设计路径和方法。文章将生成式AI应用于传统纹样设计中,通过适配实验优选基于GAN的Style GAN和基于Diffusion的Stable Diffusion两种主流图像生成模型进行实验,采用技术分析与艺术分析相结合,对实验结果进行多角度、多维度对比分析,为设计师选择生成设计方法提供参照。实验结果表明,两个模型均能满足基本的艺术设计需求。Style GAN模型生成的纹样图像更接近真实图像的分布,具有更高的图像质量和多样性;Stable Diffusion模型能较好地传承传统纹样的基因,艺术性与创造性兼具,更加符合传统纹样的艺术设计需求。

Vertical Diffusion Coefficient with Stratification Effect for Silty Sediment Suspension Under Waves

To analyze previous experimental data of suspended sediment concentration for silty sediment with different sediment particle sizes due to waves, a new stratification correction coefficient is presented. The suspended sediment concentration gradient and sediment particle diameter are selected as parameters. Furthermore, a diffusion coefficient model with a stratification effect over the whole water depth for silty sediment suspension under waves is developed. The comparison between the suspended sediment concentration calculated by the presented model and several groups of experimental data shows that the model can reasonably reflect the vertical distribution of silty sediment suspension.The stratification effect calculated by the present model decreases with an increase in the sediment particle diameter,which indicates that the model can be extended to describe the suspended sediment concentration of fine to medium sand when the near-bottom sediment concentration is not very high. Although the original model needs to be iteratively solved, the approximate method without iteration is recommended for applications when the near bottom sediment concentration is between 10 and 20 kg/m~3 due to the small difference between the non-iterative and iterative solution for near bed layer suspended sediment concentration, which plays a major role in sediment transport.

基于Stable Diffusion的虚拟人形象预设计的应用与研究

对当前AIGC在虚拟形象预设计方面的现状及影响进行了分析和探讨。以Stable Diffusion为例,详细介绍了工程构建和实现,对相关模块的作用、运行环境、使用方法及其指令等多个方面进行了综合叙述、分析和探讨,针对使用不同采样方法、不同采样参数及不同训练模型生成图片效果的优劣进行了说明及展示。随后,通过项目实例,完整地展示了人物形象预设计的过程。最后,对AIGC等新技术可能带来的社会影响进行了预测和总结。

ANALYSIS AND DISCRETIZATION FOR AN OPTIMAL CONTROL PROBLEM OF A VARIABLE-COEFFICIENT RIESZ-FRACTIONAL DIFFUSION EQUATION WITH POINTWISE CONTROL CONSTRAINTS

We present a mathematical and numerical study for a pointwise optimal control problem governed by a variable-coefficient Riesz-fractional diffusion equation.Due to the impact of the variable diffusivity coefficient,existing regularity results for their constantcoefficient counterparts do not apply,while the bilinear forms of the state(adjoint)equation may lose the coercivity that is critical in error estimates of the finite element method.We reformulate the state equation as an equivalent constant-coefficient fractional diffusion equation with the addition of a variable-coefficient low-order fractional advection term.First order optimality conditions are accordingly derived and the smoothing properties of the solutions are analyzed by,e.g.,interpolation estimates.The weak coercivity of the resulting bilinear forms are proven via the Garding inequality,based on which we prove the optimal-order convergence estimates of the finite element method for the(adjoint)state variable and the control variable.Numerical experiments substantiate the theoretical predictions.

Unveiling the Re,Cr,and I diffusion in saturated compacted bentonite using machine-learning methods

The safety assessment of high-level radioactive waste repositories requires a high predictive accuracy for radionuclide diffusion and a comprehensive understanding of the diffusion mechanism.In this study,a through-diffusion method and six machine-learning methods were employed to investigate the diffusion of ReO_(4)^(−),HCrO_(4)^(−),and I−in saturated compacted bentonite under different salinities and compacted dry densities.The machine-learning models were trained using two datasets.One dataset contained six input features and 293 instances obtained from the diffusion database system of the Japan Atomic Energy Agency(JAEA-DDB)and 15 publications.The other dataset,comprising 15,000 pseudo-instances,was produced using a multi-porosity model and contained eight input features.The results indicate that the former dataset yielded a higher predictive accuracy than the latter.Light gradient-boosting exhibited a higher prediction accuracy(R2=0.92)and lower error(MSE=0.01)than the other machine-learning algorithms.In addition,Shapley Additive Explanations,Feature Importance,and Partial Dependence Plot analysis results indicate that the rock capacity factor and compacted dry density had the two most significant effects on predicting the effective diffusion coefficient,thereby offering valuable insights.

Influence of water coupling coefficient on the blasting effect of red sandstone specimens

This study investigates the impact of different water coupling coefficients on the blasting effect of red sandstone.The analysis is based on the theories of detonation wave and elastic wave,focusing on the variation in wall pressure of the blasting holes.Using DDNP explosive as the explosive load,blasting tests were conducted on red sandstone specimens with four different water coupling coefficients:1.20,1.33,1.50,and 2.00.The study examines the morphologies of the rock specimens after blasting under these different water coupling coefficients.Additionally,the fractal dimensions of the surface cracks resulting from the blasting were calculated to provide a quantitative evaluation of the extent of rock damage.CT scanning and 3D reconstruction were performed on the post-blasting specimens to visually depict the extent of damage and fractures within the rock.Additionally,the volume fractal dimension and damage degree of the post-blasting specimens are calculated.The findings are then combined with numerical simulation to facilitate auxiliary analysis.The results demonstrate that an increase in the water coupling coefficient leads to a reduction in the peak pressure on the hole wall and the crushing zone,enabling more of the explosion energy to be utilized for crack propagation following the explosion.The specimens exhibited distinct failure patterns,resulting in corresponding changes in fractal dimensions.The simulated pore wall pressure–time curve validated the derived theoretical results,whereas the stress cloud map and explosion energy-time curve demonstrated the buffering effect of the water medium.As the water coupling coefficient increases,the buffering effect of the water medium becomes increasingly prominent.

Value of multiple models of diffusion-weighted imaging to predict hepatic lymph node metastases in colorectal liver metastases patients

BACKGROUND About 10%-31% of colorectal liver metastases(CRLM)patients would concomitantly show hepatic lymph node metastases(LNM),which was considered as sign of poor biological behavior and a relative contraindication for liver resection.Up to now,there’s still lack of reliable preoperative methods to assess the status of hepatic lymph nodes in patients with CRLM,except for pathology examination of lymph node after resection.AIM To compare the ability of mono-exponential,bi-exponential,and stretchedexponential diffusion-weighted imaging(DWI)models in distinguishing between benign and malignant hepatic lymph nodes in patients with CRLM who received neoadjuvant chemotherapy prior to surgery.METHODS In this retrospective study,97 CRLM patients with pathologically confirmed hepatic lymph node status underwent magnetic resonance imaging,including DWI with ten b values before and after chemotherapy.Various parameters,such as the apparent diffusion coefficient from the mono-exponential model,and the true diffusion coefficient,the pseudo-diffusion coefficient,and the perfusion fraction derived from the intravoxel incoherent motion model,along with distributed diffusion coefficient(DDC)andαfrom the stretched-exponential model(SEM),were measured.The parameters before and after chemotherapy were compared between positive and negative hepatic lymph node groups.A nomogram was constructed to predict the hepatic lymph node status.The reliability and agreement of the measurements were assessed using the coefficient of variation and intraclass correlation coefficient.RESULTS Multivariate analysis revealed that the pre-treatment DDC value and the short diameter of the largest lymph node after treatment were independent predictors of metastatic hepatic lymph nodes.A nomogram combining these two factors demonstrated excellent performance in distinguishing between benign and malignant lymph nodes in CRLM patients,with an area under the curve of 0.873.Furthermore,parameters from SEM showed substantial repeatability.CONCLUSION The developed nomogram,incorporating the pre-treatment DDC and the short axis of the largest lymph node,can be used to predict the presence of hepatic LNM in CRLM patients undergoing chemotherapy before surgery.This nomogram was proven to be more valuable,exhibiting superior diagnostic performance compared to quantitative parameters derived from multiple b values of DWI.The nomogram can serve as a preoperative assessment tool for determining the status of hepatic lymph nodes and aiding in the decision-making process for surgical treatment in CRLM patients.

Transient elastography and diffusion-weighted magnetic resonance imaging for assessment of liver fibrosis in children with chronic hepatitis C

BACKGROUND Chronic hepatitis C(CHC)is a health burden with consequent morbidity and mortality.Liver biopsy is the gold standard for evaluating fibrosis and assessing disease severity and prognostic purposes post-treatment.Noninvasive altern-atives for liver biopsy such as transient elastography(TE)and diffusion-weighted magnetic resonance imaging(DW-MRI)are critical needs.AIM To evaluate TE and DW-MRI as noninvasive tools for predicting liver fibrosis in children with CHC.METHODS This prospective cross-sectional study initially recruited 100 children with CHC virus infection.Sixty-four children completed the full set of investigations including liver stiffness measurement(LSM)using TE and measurement of apparent diffusion coefficient(ADC)of the liver and spleen using DW-MRI.Liver biopsies were evaluated for fibrosis using Ishak scoring system.LSM and liver and spleen ADC were compared in different fibrosis stages and correlation analysis was performed with histopathological findings and other laboratory parameters.RESULTS Most patients had moderate fibrosis(73.5%)while 26.5%had mild fibrosis.None had severe fibrosis or cirrhosis.The majority(68.8%)had mild activity,while only 7.8%had moderate activity.Ishak scores had a significant direct correlation with LSM(P=0.008)and were negatively correlated with both liver and spleen ADC but with no statistical significance(P=0.086 and P=0.145,respectively).Similarly,histopatho-logical activity correlated significantly with LSM(P=0.002)but not with liver or spleen ADC(P=0.84 and 0.98 respectively).LSM and liver ADC were able to significantly discriminate F3 from lower fibrosis stages(area under the curve=0.700 and 0.747,respectively)with a better performance of liver ADC.CONCLUSION TE and liver ADC were helpful in predicting significant fibrosis in children with chronic hepatitis C virus infection with a better performance of liver ADC.

Diffusion Equations of the Electric Charges and Magnetic Flux

Innovative definitions of the electric and magnetic diffusivities through conducting mediums and innovative diffusion equations of the electric charges and magnetic flux are verified in this article. Such innovations depend on the analogy of the governing laws of diffusion of the thermal, electrical, and magnetic energies and newly defined natures of the electric charges and magnetic flux as energy, or as electromagnetic waves, that have electric and magnetic potentials. The introduced diffusion equations of the electric charges and magnetic flux involve Laplacian operator and the introduced diffusivities. Both equations are applied to determine the electric and magnetic fields in conductors as the heat diffusion equation which is applied to determine the thermal field in steady and unsteady heat diffusion conditions. The use of electric networks for experimental modeling of thermal networks represents sufficient proof of similarity of the diffusion equations of both fields. By analysis of the diffusion phenomena of the three considered modes of energy transfer;the rates of flow of these energies are found to be directly proportional to the gradient of their volumetric concentration, or density, and the proportionality constants in such relations are the diffusivity of each energy. Such analysis leads also to find proportionality relations between the potentials of such energies and their volumetric concentrations. Validity of the introduced diffusion equations is verified by correspondence their solutions to the measurement results of the electric and magnetic fields in microwave ovens.

Research on the correlation between the dual diffusion behavior of zinc in InGaAs/InP single-photon avalanche photodiodes and device performance

The development of InGaAs/InP single-photon avalanche photodiodes(SPADs)necessitates the utiliza-tion of a two-element diffusion technique to achieve accurate manipulation of the multiplication width and the dis-tribution of its electric field.Regarding the issue of accurately predicting the depth of diffusion in InGaAs/InP SPAD,simulation analysis and device development were carried out,focusing on the dual diffusion behavior of zinc atoms.A formula of X_(j)=k√t-t_(0)+c to quantitatively predict the diffusion depth is obtained by fitting the simulated twice-diffusion depths based on a two-dimensional(2D)model.The 2D impurity morphologies and the one-dimensional impurity profiles for the dual-diffused region are characterized by using scanning electron micros-copy and secondary ion mass spectrometry as a function of the diffusion depth,respectively.InGaAs/InP SPAD devices with different dual-diffusion conditions are also fabricated,which show breakdown behaviors well consis-tent with the simulated results under the same junction geometries.The dark count rate(DCR)of the device de-creased as the multiplication width increased,as indicated by the results.DCRs of 2×10^(6),1×10^(5),4×10^(4),and 2×10^(4) were achieved at temperatures of 300 K,273 K,263 K,and 253 K,respectively,with a bias voltage of 3 V,when the multiplication width was 1.5µm.These results demonstrate an effective prediction route for accu-rately controlling the dual-diffused zinc junction geometry in InP-based planar device processing.

Erratum to:Unraveling engineering disturbance effects on deformation in red-bed mudstone railway cuttings:incorporating crack-facilitated moisture diffusion

Erratum to:J.Mt.Sci.(2024)21(5):1663-1682 https://doi.org/10.1007/s11629-023-8561-0 During the production process,the first author’s name was wrongly written as“Rang Huang”in the metadata.The correct name for the first author is“Kang Huang”.The first author’s name in the fulltext pdf is correct.

ON MONOTONE TRAVELING WAVES FOR NICHOLSON'S BLOWFLIES EQUATION WITH DEGENERATE p-LAPLACIAN DIFFUSION

We study the existence and stability of monotone traveling wave solutions of Nicholson's blowflies equation with degenerate p-Laplacian diffusion.We prove the existence and nonexistence of non-decreasing smooth traveling wave solutions by phase plane analysis methods.Moreover,we show the existence and regularity of an original solution via a compactness analysis.Finally,we prove the stability and exponential convergence rate of traveling waves by an approximated weighted energy method.

3D robust anisotropic diffusion filtering algorithm for sparse view neutron computed tomography 3D image reconstruction

The most critical part of a neutron computed tomography(NCT) system is the image processing algorithm,which directly affects the quality and speed of the reconstructed images.Various types of noise in the system can degrade the quality of the reconstructed images.Therefore,to improve the quality of the reconstructed images of NCT systems,efficient image processing algorithms must be used.The anisotropic diffusion filtering(ADF) algorithm can not only effectively suppress the noise in the projection data,but also preserve the image edge structure information by reducing the diffusion at the image edges.Therefore,we propose the application of the ADF algorithm for NCT image reconstruction.To compare the performance of different algorithms in NCT systems,we reconstructed images using the ordered subset simultaneous algebraic reconstruction technique(OS-SART) algorithm with different regular terms as image processing algorithms.In the iterative reconstruction,we selected two image processing algorithms,the Total Variation and split Bregman solved total variation algorithms,for comparison with the performance of the ADF algorithm.Additionally,the filtered back-projection algorithm was used for comparison with an iterative algorithm.By reconstructing the projection data of the numerical and clock models,we compared and analyzed the effects of each algorithm applied in the NCT system.Based on the reconstruction results,OS-SART-ADF outperformed the other algorithms in terms of denoising,preserving the edge structure,and suppressing artifacts.For example,when the 3D Shepp–Logan was reconstructed at 25 views,the root mean square error of OS-SART-ADF was the smallest among the four iterative algorithms,at only 0.0292.The universal quality index,mean structural similarity,and correlation coefficient of the reconstructed image were the largest among all algorithms,with values of 0.9877,0.9878,and 0.9887,respectively.

Shape and diffusion instabilities of two non-spherical gas bubbles under ultrasonic conditions

Ultrasonic cavitation involves dynamic oscillation processes induced by small bubbles in a liquid under the influence of ultrasonic waves. This study focuses on the investigation of shape and diffusion instabilities of two bubbles formed during cavitation. The derived equations for two non-spherical gas bubbles, based on perturbation theory and the Bernoulli equation, enable the analysis of their shape instability. Numerical simulations, utilizing the modified Keller–Miksis equation,are performed to examine the shape and diffusion instabilities. Three types of shape instabilities, namely, Rayleigh–Taylor,Rebound, and parametric instabilities, are observed. The results highlight the influence of initial radius, distance, and perturbation parameter on the shape and diffusion instabilities, as evidenced by the R_0–P_a phase diagram and the variation pattern of the equilibrium curve. This research contributes to the understanding of multiple bubble instability characteristics, which has important theoretical implications for future research in the field. Specifically, it underscores the significance of initial bubble parameters, driving pressure, and relative gas concentration in determining the shape and diffusive equilibrium instabilities of non-spherical bubbles.