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Nanofillers modified with aluminum carboxylate for application in Polymer composite electrolytes for lithium-ion batteries 羧酸铝修饰的纳米填料在锂离子电池聚合物复合电解质中的应用
IF 2.5 Q2 MATERIALS SCIENCE, BIOMATERIALS Pub Date : 2024-11-11 DOI: 10.1007/s00339-024-08007-3
Magdalena Słojewska, Arkadiusz Czerwiński, Dorota Monikowska, Joanna Kruk, Ewa Zygadło-Monikowska

One of the additives that positively influence the parameters of the electrolyte for lithium-ion cells are ceramic nanoparticles, such as SiO2 and α-Al2O3. However, they tend to agglomerate and sediment, which is an unfavorable phenomenon. An effective strategy to prevent this is to modify the surface of the particles with polymeric compounds, which can increase compatibility and stability in the electrolyte system. To reduce agglomeration and sedimentation, a method was developed to modify aluminum oxide and silica particles using aluminum carboxylate, which chemically combines with inorganic particles that have hydroxyl groups on their surface through an alkoxide bond. This method allows the introduction of oligooxyethylene groups to the ceramic surface, thus obtaining more stable systems. The effectiveness of this modification was confirmed through dynamic light scattering (DLS) measurements of particle size in liquid organic solvents, which are potential solvents for liquid electrolytes in lithium-ion cells. The modified nanosilica and aluminum oxide particles were then used as additives to solid polymer electrolytes made of poly(ethylene oxide) (PEO). This led to higher conductivity values compared to the use of unmodified fillers. The obtained values of lithium transference number for solid polymer electrolyte with PEO/CF3SO3Li and nanosilica or aluminum oxide modified with aluminum carboxylate are equal to 0.32–0.40.

对锂离子电池电解液参数有积极影响的添加剂之一是陶瓷纳米颗粒,如 SiO2 和 α-Al2O3。然而,它们容易聚集和沉淀,这是一种不利的现象。防止这种现象的有效策略是用聚合物化合物修饰颗粒表面,这样可以提高颗粒在电解质系统中的相容性和稳定性。为了减少团聚和沉淀,我们开发了一种使用羧酸铝修饰氧化铝和二氧化硅颗粒的方法,羧酸铝通过烷氧基键与表面带有羟基的无机颗粒发生化学结合。这种方法可以在陶瓷表面引入低聚氧乙烯基团,从而获得更稳定的体系。通过对液态有机溶剂(锂离子电池中液态电解质的潜在溶剂)中的粒度进行动态光散射(DLS)测量,证实了这种改性的有效性。然后,改性纳米二氧化硅和氧化铝颗粒被用作聚环氧乙烷(PEO)固体聚合物电解质的添加剂。与使用未经改性的填料相比,这使得电导率值更高。使用 PEO/CF3SO3Li 和纳米二氧化硅或羧酸铝改性的氧化铝制成的固体聚合物电解质的锂转移数为 0.32-0.40。
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引用次数: 0
(^{235}text {U(n}_{text {th}}text {,f)}) mass yield evaluation with associated covariance matrix (^{235}/text{U(n}_{th}}/text{,f)})质量收益评估与相关协方差矩阵
IF 2.6 Q2 MATERIALS SCIENCE, BIOMATERIALS Pub Date : 2024-11-11 DOI: 10.1140/epja/s10050-024-01422-3
S. M. Cheikh, G. Kessedjian, O. Serot, A. Chebboubi, D. Bernard, V. Vallet

The study of fission yields has a major impact on the characterization and understanding of the fission process and its applications. Mass yield evaluation represents a key element in order to perform the best estimation of independent and cumulative fission product yields. Today, the lack of analysis-based correlation matrix between the different fission observables induces many inconsistencies in the evaluations. In particular, the mass yield uncertainties are drastically overestimated in comparison to chain yields while these two quantities only differ from the emission of delayed neutrons. In this work, a new consistent process of mass yield evaluation is proposed taking into account the description of the covariance matrix. For (^{235}text {U(n}_{text {th}}text {,f)}) mass yields, existing data cover a large range of produced masses which makes it possible to propose an evaluation of mass yields independently of any model with a precision closed to (1.5%) for the high yields. This new precision brings the possibility to discuss the origin of the structures in the post-neutron mass yields, in particular the consistency with the pre-neutron mass yields and the prompt neutron multiplicity per mass. The work is the first part of the (^{235}text {U(n}_{text {th}}text {,f)}) thermal neutron induced fission yield evaluation which will be included in the new JEFF-4 library.

裂变产率研究对描述和理解裂变过程及其应用具有重大影响。质量产率评估是对独立和累积裂变产物产率进行最佳估算的关键因素。目前,不同裂变观测指标之间缺乏基于分析的相关矩阵,导致评估中存在许多不一致之处。特别是,质量产率的不确定性与链产率相比被大幅高估,而这两个量只是延迟中子的发射不同。在这项工作中,考虑到协方差矩阵的描述,提出了一种新的一致的质量产率评估过程。对于(^{235}text {U(n}_{text {th}}text {,f)})质量产率,现有数据覆盖了很大的生产质量范围,这使得提出独立于任何模型的质量产率评估成为可能,对于高产率来说,精度接近于(1.5%)。这一新的精度为讨论中子后质量产率结构的起源,特别是与中子前质量产率和每质量瞬发中子倍率的一致性提供了可能。这项工作是(^{235}text {U(n}_{text {th}text {,f)})热中子诱发裂变产率评估的第一部分,该评估将被纳入新的 JEFF-4 库中。
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引用次数: 0
Conservation of the number of nodes in the wavefunctions of one-electron diatomic quasimolecules 单电子双原子准分子波函数节点数的守恒性
IF 1.5 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-11 DOI: 10.1140/epjd/s10053-024-00923-6
Tamaz Kereselidze, Irakli Noselidze

The conservation of the number of nodes in the wavefunctions of one-electron diatomic quasimolecules is treated. The elaborated approach is focused on the behavior of separation constants and their relationship to the number of nodes as the distance between nuclei varies. By examining the separation constants for quasimolecules with different nuclear charges, we demonstrate the robustness of the number of nodes across different states and separations without explicitly defining the wavefunctions themselves.

Graphical abstract

本论文探讨了单电子双原子准分子波函数中的节点数守恒问题。所阐述的方法侧重于核间距变化时分离常数的行为及其与节点数的关系。通过研究具有不同核电荷的准分子的分离常数,我们证明了节点数在不同状态和分离条件下的稳健性,而无需明确定义波函数本身。
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引用次数: 0
Emergent metal-insulator transition in Fe-doped LaNiO3 thin films on glass substrate 玻璃基底上掺铁 LaNiO3 薄膜中出现的金属-绝缘体转变
IF 2.5 Q2 MATERIALS SCIENCE, BIOMATERIALS Pub Date : 2024-11-11 DOI: 10.1007/s00339-024-08011-7
A Snehil Naidu, Rini Ganguly

Transition-metal-oxide based perovskites belong to the strongly correlated electron system exhibiting composition dependent metal-insulator transition. Their electronic properties can be tuned by doping them with right material by right amount for application in the diverse areas of material science. This article presents the preparation of crystalline thin films of Fe-doped LaNi1-xFexO3 (x = 0, 0.1, 0.2, 0.4) on glass substrate by spin-coating of chemical solutions. Annealing the films at a suitable temperature for optimum time plays a crucial role in obtaining good crystalline samples. We performed structural characterizations of the films using X-ray diffraction spectroscopy, scanning electron microscopy, and energy-dispersive X-ray spectroscopy. Electrical conductivity of the films was measured by four-probe technique at 30˚ C, 50˚ C, 80˚ C, and 100˚ C. We observed a non-ohmic insulating behaviour for the sample with x = 0.4 while all the other films with lower doping level showcased linear voltage-current relationship with metallic temperature dependence.

Graphical Abstract

基于过渡金属氧化物的过氧化物属于强相关电子系统,表现出与成分相关的金属-绝缘体转变。可以通过适量掺杂合适的材料来调整它们的电子特性,从而应用于材料科学的各个领域。本文介绍了通过化学溶液旋涂法在玻璃基底上制备掺杂铁的 LaNi1-xFexO3 (x = 0、0.1、0.2、0.4)结晶薄膜的过程。在合适的温度和最佳的时间内对薄膜进行退火对获得良好的结晶样品起着至关重要的作用。我们使用 X 射线衍射光谱仪、扫描电子显微镜和能量色散 X 射线光谱仪对薄膜进行了结构表征。在 30˚ C、50˚ C、80˚ C 和 100˚ C 温度条件下,我们使用四探针技术测量了薄膜的电导率。我们观察到 x = 0.4 的样品具有非欧姆绝缘行为,而掺杂水平较低的所有其他薄膜都显示出线性电压-电流关系,并具有金属温度依赖性。
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引用次数: 0
Computation of effective collision strengths for plasma applications using JAC 使用 JAC 计算等离子体应用的有效碰撞强度
IF 2.8 Q2 MATERIALS SCIENCE, BIOMATERIALS Pub Date : 2024-11-11 DOI: 10.1140/epjp/s13360-024-05747-2
Aloka Kumar Sahoo, Stephan Fritzsche, Lalita Sharma

The electron impact excitation rate coefficients or effective collision strengths are one of the ingredients for plasma modeling or plasma diagnosis. The present work provides a computational implementation for calculating excitation rate coefficients using the Jena Atomic Calculator toolbox within the framework of the relativistic distorted wave approximation. To address the need for large-scale calculations involving complex shells and heavy atoms and ions, parallel programming is implemented to expedite the computation of cross sections, collision strengths, effective collision strengths and rate coefficients. As a case study, we have calculated collision strengths, effective collision strengths and rate coefficients for Fe XXII.

电子碰撞激发率系数或有效碰撞强度是等离子体建模或等离子体诊断的要素之一。本研究提供了在相对论扭曲波近似框架内使用耶拿原子计算器工具箱计算激发率系数的计算实现。为了满足涉及复杂炮弹和重原子离子的大规模计算的需要,我们采用了并行编程来加快截面、碰撞强度、有效碰撞强度和激发率系数的计算。作为案例研究,我们计算了 Fe XXII 的碰撞强度、有效碰撞强度和速率系数。
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引用次数: 0
Turing patterns in exploited predator–prey systems with habitat loss 栖息地丧失的捕食者-猎物系统中的图灵模式
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2024-11-10 DOI: 10.1140/epjb/s10051-024-00815-z
Ramya Seenivasan, Prosenjit Paul

In this study, we explore the emergence of spatial patterns in a predator–prey model influenced by habitat loss, incorporating the effects of linear diffusion. By examining the stability of the system through the Jacobian matrix, we derive conditions for the occurrence of both Hopf and Turing bifurcations using analytical and numerical approaches. Numerical simulations yield Hopf bifurcation diagrams, revealing the system’s dynamic responses to varying conditions. Our findings contribute to the understanding of how habitat loss and harvesting affect the spatial dynamics in predator–prey systems, which are described by partial differential equations (PDEs) under flux boundary conditions. We also investigate the impact of habitat loss due to harvesting on spatial patterns, identifying formations such as spots and stripes as a result of changes in harvesting efforts. We analytically derive the conditions for Turing instability, which are confirmed through numerical validation.

在本研究中,我们探讨了受栖息地丧失影响的捕食者-猎物模型中出现的空间模式,并结合了线性扩散的影响。通过雅各布矩阵检验系统的稳定性,我们利用分析和数值方法得出了霍普夫分岔和图灵分岔的发生条件。数值模拟得出了霍普夫分岔图,揭示了系统对不同条件的动态响应。我们的研究结果有助于理解栖息地丧失和采伐如何影响捕食者-猎物系统的空间动态,而捕食者-猎物系统是由通量边界条件下的偏微分方程(PDEs)描述的。我们还研究了捕猎导致的栖息地丧失对空间模式的影响,确定了捕猎变化导致的斑点和条纹等形态。我们通过分析推导出图灵不稳定性的条件,并通过数值验证予以确认。
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引用次数: 0
Grain boundary-induced stress localization during compression deformation of polycrystalline 316L stainless steel 多晶 316L 不锈钢压缩变形过程中晶界诱发的应力定位
IF 2.5 Q2 MATERIALS SCIENCE, BIOMATERIALS Pub Date : 2024-11-09 DOI: 10.1007/s00339-024-08033-1
Zhanfeng Wang, Sai Tao, Ting Jian, Beibei Jiang

Understanding the mechanisms governing stress localization in polycrystalline materials is paramount for optimizing their mechanical properties and performance. Here, we investigate the grain boundary-induced stress localization phenomenon during compression deformation of polycrystalline 316L stainless steel through a combination of experimental and computational approaches. Utilizing a custom-built indentation setup and crystal plasticity finite element (CPFE) simulations, we elucidate the intricate interplay between microstructural features, dislocation mechanisms, and stress distribution. Experimental results reveal significant stress concentrations at grain boundaries, while CPFE simulations demonstrate the influence of grain size on stress response, with finer grains exhibiting higher stresses due to increased accumulation of geometrically necessary dislocations (GNDs). Our findings underscore the critical role of microstructural features, particularly grain boundaries and grain size, in governing the mechanical behavior of polycrystalline materials under compression loading conditions. This study provides valuable insights for designing and optimizing materials for various engineering applications.

要优化多晶材料的机械特性和性能,了解其应力局部化机制至关重要。在此,我们结合实验和计算方法,研究了多晶 316L 不锈钢压缩变形过程中晶界诱发的应力局部化现象。利用定制的压痕装置和晶体塑性有限元(CPFE)模拟,我们阐明了微结构特征、位错机制和应力分布之间错综复杂的相互作用。实验结果表明晶界处存在明显的应力集中现象,而 CPFE 模拟则证明了晶粒尺寸对应力响应的影响,由于几何必备位错(GND)的积累增加,较细的晶粒会表现出较高的应力。我们的发现强调了微观结构特征,尤其是晶界和晶粒尺寸,在控制多晶材料在压缩加载条件下的机械行为方面的关键作用。这项研究为设计和优化各种工程应用材料提供了宝贵的见解。
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引用次数: 0
Soft drug epidemic in deterministic and stochastic case studies 确定性和随机案例研究中的软性毒品流行问题
IF 1.9 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-09 DOI: 10.1007/s12043-024-02845-9
Islam M Elbaz, M A Sohaly, H El-Metwally

Through the application of mathematical epidemiology principles, the formulation of the soft drugs model is established, and the complete dynamics of this deterministic model are contingent upon the crucial parameter called the basic reproduction number, denoted as (R_{0}^{d}). The stochastic soft drug epidemic models are developed by considering the parametric and non-parametric stochastic perturbation techniques. Dynamics of the two different stochastic models are determined using the analog stochastic thresholds (R_0^{s_{1}}), (R_0^{s_{2}}), respectively. Introducing suitable Lyapunov functionals enables us to establish sufficient axioms for the extinction and permanence of soft drug users in both deterministic and stochastic models. Moreover, the sensitivity of the deterministic and stochastic thresholds to some important parameters involved in the models is illustrated. For the verification of our theoretical results, we develop some numerical simulations using the Euler–Maruyama scheme.

通过应用数学流行病学原理,建立了软毒品模型的表述,该确定性模型的完整动态取决于称为基本繁殖数的关键参数,表示为 (R_{0}^{d})。通过考虑参数和非参数随机扰动技术,建立了随机软毒品流行模型。两种不同随机模型的动力学分别使用模拟随机阈值 (R_0^{s_{1}})、(R_0^{s_{2}})来确定。引入合适的 Lyapunov 函数使我们能够在确定性模型和随机模型中为软性毒品使用者的消亡和永久性建立充分的公理。此外,我们还说明了确定性和随机性阈值对模型中一些重要参数的敏感性。为了验证我们的理论结果,我们使用 Euler-Maruyama 方案进行了一些数值模拟。
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引用次数: 0
A comprehensive analysis of anisotropic stellar objects with quadratic equation of state 具有二次状态方程的各向异性恒星物体的综合分析
IF 1.9 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-09 DOI: 10.1007/s12043-024-02846-8
Kiran Pant, Pratibha Fuloria

The present investigation examines the behaviour of compact relativistic objects characterised by static and spherically symmetric space–time for neutral anisotropic matter distribution. More specifically, we consider an equation of state (EoS), in which density and radial pressure are connected with each other quadratically. By smoothly matching the interior space–time with the exterior at the stellar surface, the appropriate values of the constant parameters for physically realistic solutions are obtained to model various compact stars. We explore the physical behaviour of compact stellar models SMC X-4, Vela X-1, CEN X-3, PSR J1614-2230, LMC X-4 and EXO 1785-248. Further, we describe several features of the compact stellar systems that exhibit physically acceptable attributes with no singularity. All important stability criteria, such as the energy conditions, causality conditions, Buchdhal condition and the adiabatic index are fulfilled by our neutral anisotropic compact star models. An in-depth comprehension of the physical characteristics of the proposed solution has been achieved through meticulous analytical and graphical examinations. By utilising this solution, the masses and radii of six compact stellar candidates mentioned above are optimised with the observed values obtained experimentally. The derived solution might be useful to enhance the understanding of the strong-field regimes and self-gravitating entities.

本研究探讨了中性各向异性物质分布的静态球对称时空下紧凑相对论物体的行为。更具体地说,我们考虑了一个状态方程(EoS),其中密度和径向压力相互之间是二次连接的。通过将内部时空与恒星表面的外部时空平滑匹配,我们获得了物理现实解的适当常量参数值,从而为各种紧凑型恒星建模。我们探讨了紧凑型恒星模型 SMC X-4、Vela X-1、CEN X-3、PSR J1614-2230、LMC X-4 和 EXO 1785-248 的物理行为。此外,我们还描述了紧凑型恒星系统的几个特点,它们表现出物理上可接受的属性,没有奇点。我们的中性各向异性紧凑恒星模型满足所有重要的稳定性标准,如能量条件、因果关系条件、布赫达尔条件和绝热指数。通过细致的分析和图形检验,我们深入理解了所提出解决方案的物理特性。利用这一方案,上述六颗紧凑型候选恒星的质量和半径与实验观测值进行了优化。推导出的解决方案可能有助于加深对强场机制和自引力实体的理解。
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引用次数: 0
Impact of gold and silver nanoparticles on the thermally radiating MHD slip blood flow within the stenotic artery using stability analysis and entropy optimisation 利用稳定性分析和熵优化,研究金纳米颗粒和银纳米颗粒对狭窄动脉内热辐射 MHD 滑动血流的影响
IF 1.9 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-09 DOI: 10.1007/s12043-024-02840-0
Gopinath Mandal, Dulal Pal

The main aim of this investigation is to study the heat transport and entropy generation of human blood as a hybrid nanofluid (HNF) containing gold (Au) and silver (Ag) nanoparticles inside a Darcy–Fochheimer porous stenotic artery in the presence of thermal radiation and magnetic field. The primary reason for adopting Au and Ag nanoparticles as nanomaterials for drug delivery is because they exhibit potential drug transport and imaging properties for treating stenosed artery. Furthermore, velocity slip and convective boundary conditions at the surface of the artery are considered in this study. A method of suitable similarity transformations has been utilised to convert the partial differential equations (PDEs) into dimensionless ordinary differential equations (ODEs) and using the bvp4c built-in solver in MATLAB mathematical software, numerical solutions have been obtained. The plots of the results show that the hybrid nanofluid (Au–Ag/blood) has greater thermal conductance than the normal nanofluid (Au/blood). The temperature and velocity of the blood gradually increase as the percentage of nanoparticles in the blood flow grows. The heat transference rate increases with increase in Biot number (Bi) and radiation (Nr) effect, which helps in removing the toxic plaque from the artery. Due to the contraction of the artery, dual solutions are found, but dual solutions cannot be found beyond the critical values of suction (S) and shrinking ((lambda )) parameters. The critical values (S_C) from computation are 1.5851, 1.5949 and critical values (lambda _C) are 0.652, 0.781 for Au/blood nanofluid (NF) and Au–Ag/blood hybrid nanofluid (HNF), respectively. Also, the stability of blood flow is achieved by finding the lowest eigenvalue. A positive minimum eigenvalue ((beta _1)) denotes the upper stable solution branch, whereas a negative minimal eigenvalue indicates the bottom unstable solution branch. The entropy of the blood as the HNF flow was found to increase with nanoparticle volume fraction ((phi _1, phi _2)), porous parameter (P) and magnetic parameter (M). These results will help greatly to avoid brain stroke or heart attack caused by the burst of an artery.

本研究的主要目的是研究在热辐射和磁场作用下,人体血液作为含有金(Au)和银(Ag)纳米粒子的混合纳米流体(HNF)在达西-福赫海默(Darcy-Fochheimer)多孔狭窄动脉内的热传输和熵产生。采用金纳米颗粒和银纳米颗粒作为给药纳米材料的主要原因是,它们在治疗狭窄动脉方面具有潜在的药物传输和成像特性。此外,本研究还考虑了动脉表面的速度滑移和对流边界条件。利用适当的相似变换方法将偏微分方程(PDE)转换为无量纲常微分方程(ODE),并使用 MATLAB 数学软件中的 bvp4c 内置求解器获得数值解。结果图显示,混合纳米流体(Au-Ag/血液)的热导率大于普通纳米流体(Au/血液)。随着纳米粒子在血流中所占比例的增加,血液的温度和速度也逐渐增加。热传导率随着比奥特数(Bi)和辐射(Nr)效应的增加而增加,这有助于清除动脉中的有毒斑块。由于动脉收缩,双解被发现,但双解不能超过吸力(S)和收缩((lambda ))参数的临界值。计算得出金/血纳米流体(NF)和金-金/血混合纳米流体(HNF)的临界值(S_C)分别为1.5851和1.5949,临界值(lambda _C)分别为0.652和0.781。此外,血流的稳定性是通过寻找最低特征值来实现的。正的最小特征值((beta _1))表示上层稳定解分支,而负的最小特征值表示下层不稳定解分支。研究发现,随着纳米粒子体积分数((phi _1,phi _2))、多孔参数(P)和磁参数(M)的增加,HNF流动时的血液熵也随之增加。这些结果将大大有助于避免因动脉破裂引起的脑中风或心脏病发作。
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引用次数: 0
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