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Effect of pressure on the structural properties of tantalum carbide 压力对碳化钽结构特性的影响
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-04-03 DOI: 10.1142/s0217979225500687
Lun Xiong, Bin Li, Yongqing Hu

In this study, tantalum carbide (TaC) samples were placed in a diamond anvil cell to study the equation of state at room temperature and high pressure using synchrotron radiation X-ray diffraction. By fitting the data at ambient pressure and up to the highest pressure of 38.5GPa, we obtained the bulk modulus and first derivative of TaC as K0=290.7 (6.8) GPa and K0=3.05 (0.49), respectively. In addition, we calculated the bulk modulus and band structure of TaC under high pressure using density functional theory. The obtained bulk modulus is 267 (3)GPa. TaC is metallic in nature throughout the entire pressure range. We studied the high-pressure deviatoric stress of TaC using linewidth analysis method. We found that TaC can support a maximum differential stress of up to 18.6GPa at the highest pressure of 38.5GPa.

本研究将碳化钽(TaC)样品置于金刚石砧槽中,利用同步辐射 X 射线衍射法研究其在室温和高压下的状态方程。通过拟合常压和最高 38.5GPa 压力下的数据,我们得到了 TaC 的体积模量和一阶导数,分别为 K0=290.7 (6.8) GPa 和 K0′=3.05 (0.49)。此外,我们还利用密度泛函理论计算了高压下 TaC 的体模量和带结构。得到的体积模量为 267 (3)GPa 。在整个压力范围内,TaC 都具有金属性质。我们利用线宽分析方法研究了 TaC 的高压偏离应力。我们发现,在最高压力 38.5GPa 时,TaC 可承受高达 18.6GPa 的最大偏差应力。
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引用次数: 0
The transport of self-propelled ellipsoidal particles confined in 2D smooth corrugated channel 封闭在二维光滑波纹通道中的自推进椭圆形颗粒的传输
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-04-03 DOI: 10.1142/s0217979225500468
Bing Wang, Wenfei Wu

Directed transport of self-propelled ellipsoidal particles confined in a smooth corrugated channel with asymmetric potential and Gaussian colored noise is investigated. Effects of the channel, potential and colored noise on the system are discussed. Large noise intensity in the x-axis direction inhibits the transport in x and +x directions. The directed transport speed |V| has a maximum with increasing noise intensity in the y-axis direction. Proper size of the bottleneck is good for the directed transport of the ellipsoidal particles, but large or small size of bottleneck inhibits this directed transport. The transport reverse phenomenon appears with increasing load and self-propelled speed. Confined spherical particle is easier to produce directed transport than confined needlelike ellipsoid particle.

研究了限制在光滑波纹通道中的自推进椭圆形粒子的定向传输,该通道具有非对称电势和高斯彩色噪声。讨论了通道、电势和彩色噪声对系统的影响。x 轴方向上的大噪声强度抑制了 -x 和 +x 方向上的传输。随着 y 轴方向噪声强度的增加,定向传输速度 |〈V〉| 达到最大值。适当的瓶颈尺寸有利于椭圆粒子的定向传输,但过大或过小的瓶颈尺寸会抑制这种定向传输。随着载荷和自推进速度的增加,会出现输送反向现象。密闭的球形颗粒比密闭的针状椭圆形颗粒更容易产生定向传输。
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引用次数: 0
Nonlinear localized modes in a higher-order anisotropic ferromagnetic nanowire with octupole–dipole interaction 具有八极-偶极相互作用的高阶各向异性铁磁纳米线中的非线性局部模式
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-04-03 DOI: 10.1142/s0217979225400107
T. Pavithra, L. Kavitha, Awadesh Mani

Increasing demand for advanced technologies that depends on magnetic phenomena, understanding and controlling the behavior of discrete breather in ferromagnetic nanowires are crucial for enhancing the efficiency and performance of such devices. The presence of octupole–dipole interactions signifies a unique aspect that could potentially influence the stability and localization of breather excitations. Hence, we adopted a multifaceted approach to investigate the Heisenberg anisotropic ferromagnetic nanowire discrete model with the following interactions: bilinear, octupole–dipole, anisotropy and its higher-order terms. The dynamics is governed by a discrete nonlinear Schrödinger equation (DNLS) arrived with the aid of Holstein–Primakoff transformation. This transformation was facilitated by utilizing the Glauber coherent representation of the boson operators. Subsequently, the dynamical equation is incorporated to the Modulational Instability (MI) analysis which is a systematical gateway to explore the breather excitation in the region of instability influenced by the octupole–dipole interaction coupling parameter. Then, we pictorially demonstrated that the octupole–dipole interaction plays a pivotal role in promoting the localization of discrete breather on the surface of the spin lattice sites in the discrete ferromagnetic nanowire. The energy density distribution also implies that the increase in octupole–dipole interaction results in the highly dense breather localization. The result shows that the increment in the octupole–dipole interaction parameter increases the amplitude of the localized breathers. These discrete breathers could hold immense promise for applications in magnetic storage and Spintronic devices, where maintaining stable localized modes is crucial for the device functionality. Our novelty lies in being pioneers in the exploration of a fully discrete model that encompasses higher-order interactions, such as the octupole–dipole interaction. We already have confirmed the existence of instability region on the discrete spin lattice by incorporating the octupole–dipole interaction [T. Pavithra, L. Kavitha, Prabhu and A. Mani, Modulational instability analysis in an isotropic ferromagnetic nanowire with higher order octopole-dipole interaction, in Nonlinear Dynamics and Applications: Proceedings of the ICNDA 2022 (Springer, 2022), p. 1209], we attempting to explore the generation of discrete breathers in a discrete anisotropic ferromagnetic nanowire. This effectively bridges the gap between theoretical understanding and practical implications, paving the way for innovative advancements in magnetic technology.

对依赖于磁现象的先进技术的需求与日俱增,了解和控制铁磁纳米线中离散呼吸器的行为对于提高此类设备的效率和性能至关重要。八极-偶极相互作用的存在标志着一个独特的方面,有可能影响呼吸激发的稳定性和定位。因此,我们采用了一种多元方法来研究具有以下相互作用的海森堡各向异性铁磁纳米线离散模型:双线性、八极-偶极、各向异性及其高阶项。动力学受离散非线性薛定谔方程(DNLS)支配,并借助霍尔施泰因-普里马科夫变换。利用玻色子算子的格劳伯相干表示法促进了这种变换。随后,动力学方程被纳入调制不稳定性(MI)分析,这是探索受八极-偶极相互作用耦合参数影响的不稳定性区域的呼吸激发的系统途径。然后,我们用图像证明了八极-偶极相互作用在促进离散呼吸器在离散铁磁纳米线自旋晶格位点表面的定位中起着关键作用。能量密度分布也意味着八极-偶极相互作用的增加导致了高密度的呼吸器定位。结果表明,八极-偶极相互作用参数的增加会提高局部呼吸器的振幅。这些离散呼吸器在磁存储和自旋电子器件的应用中大有可为,因为保持稳定的局部模式对器件功能至关重要。我们的创新之处在于率先探索了一种完全离散的模型,该模型包含了更高阶的相互作用,例如八极-偶极相互作用。通过加入八极-偶极相互作用,我们已经证实了离散自旋晶格上不稳定区域的存在 [T. Pavithra, L. K., M., M., M., M., M., M., M., M., M., M.] 。Pavithra, L. Kavitha, Prabhu and A. Mani, Modulational instability analysis in an isotropic ferromagnetic nanowire with higher order octopole-dipole interaction, in Nonlinear Dynamics and Applications:Proceedings of the ICNDA 2022 (Springer, 2022), p. 1209],我们试图探索离散各向异性铁磁纳米线中离散呼吸器的产生。这有效地弥合了理论理解与实际意义之间的差距,为磁性技术的创新发展铺平了道路。
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引用次数: 0
Impact of Newtonian heating on MHD flow of non-Newtonian fluid 牛顿加热对非牛顿流体 MHD 流动的影响
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-04-03 DOI: 10.1142/s0217979225400089
Hessah Alqahtani

Studying real-world problems with flow models of Newtonian and non-Newtonian fluids has gained particular attention because of its significance in engineering and other industries. According to trends in the field of research, interest in studying the characteristics of all such fluid flows is expanding. Due to the peculiar nature of the physical foundation of these non-Newtonian flows, no single constituent equation is available in the literature to explain all of their characteristics or rheological behavior. In the current investigation, the continuous 2D Casson fluid heat transfer flow is combined with the effects of radiation and an inclined magnetic field over a linear stretch surface. Newtonian condition is used to heat the sheet. The governing partial differential equations (PDEs) are transformed into nonlinear ordinary differential equations (ODEs) via the similarity transformation. The fourth-fifth-order Runge–Kutta Fehlberg (RKF45) method is then used to numerically solve the problem. The results for temperature distribution, and velocity field are computed and plotted graphically and discussed in detail. It is found that the magnetic parameter reduces fluid velocity and the Casson fluid parameter increases temperature distribution.

利用牛顿和非牛顿流体的流动模型研究现实世界中的问题,因其在工程和其他行业中的重要性而受到特别关注。根据研究领域的发展趋势,研究所有此类流体流动特性的兴趣正在不断扩大。由于这些非牛顿流体的物理基础性质特殊,文献中没有一个单一的组成方程可以解释它们的所有特性或流变行为。在当前的研究中,连续二维卡松流体传热流与线性拉伸表面上的辐射和倾斜磁场效应相结合。采用牛顿条件对板材进行加热。通过相似变换,将控制偏微分方程(PDE)转换为非线性常微分方程(ODE)。然后使用四阶-五阶 Runge-Kutta Fehlberg (RKF45) 方法对问题进行数值求解。对温度分布和速度场的结果进行了计算和绘制,并进行了详细讨论。结果发现,磁性参数降低了流体速度,而 Casson 流体参数增加了温度分布。
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引用次数: 0
Carboxymethyl cellulose-water-based hybrid nanofluid mixed convection flow between porous vertical plates: Entropy generation analysis 多孔立板间的羧甲基纤维素-水基混合纳米流体混合对流:熵生成分析
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-04-03 DOI: 10.1142/s0217979225500365
Padma Ummeda, Surender Ontela

This paper analyzes the thermodynamic second law analysis of mixed convection heat transfer of Carboxymethyl Cellulose (CMC)-water based viscoelastic hybrid nanofluid flow in a vertical parallel plate channel filled with porous medium. In mixed convection flow, where both buoyancy and viscous forces play significant roles in the flow behavior, the inclusion of viscous dissipation in the analysis is crucial. The governing equations of the problem are converted into a system of ordinary differential equations using appropriate similarity transformations, which are then solved by the Homotopy Analysis Method (HAM). The behavior of non-dimensional velocity, temperature, skin friction coefficient, Nusselt number, entropy generation and Bejan number profiles for a range of pertinent flow parameter values is displayed graphically and deliberated. Study reveals that a decrease in the dominance of viscous forces relative to inertial forces within the porous medium lowers entropy generation in the system.

本文分析了羧甲基纤维素(CMC)-水基粘弹性混合纳米流体在充满多孔介质的垂直平行板通道中混合对流传热的热力学第二定律分析。在混合对流中,浮力和粘性力在流动行为中起着重要作用,因此将粘性耗散纳入分析至关重要。利用适当的相似变换将问题的支配方程转换成常微分方程系,然后用同调分析法(HAM)求解。对一系列相关流动参数值下的非尺寸速度、温度、皮肤摩擦系数、努塞尔特数、熵生成和贝扬数剖面的行为进行了图形显示和讨论。研究表明,相对于多孔介质中的惯性力,粘性力的主导作用减小,系统中的熵产生量也随之降低。
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引用次数: 0
Comparative analysis of temperature-based graphical indices for correlating the total π-electron energy of benzenoid hydrocarbons 基于温度的图示指数与苯碳氢化合物总 π 电子能相关性的比较分析
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-03-25 DOI: 10.1142/s021797922550047x
Sakander Hayat, Jia-Bao Liu
<p>In a graph <span><math altimg="eq-00002.gif" display="inline" overflow="scroll"><mi>G</mi><mo>=</mo><mo stretchy="false">(</mo><mi>V</mi><mo>,</mo><mi>E</mi><mo stretchy="false">)</mo></math></span><span></span>, the temperature <span><math altimg="eq-00003.gif" display="inline" overflow="scroll"><msub><mrow><mi>T</mi></mrow><mrow><mi>x</mi></mrow></msub></math></span><span></span> of a vertex <span><math altimg="eq-00004.gif" display="inline" overflow="scroll"><mi>x</mi><mo>∈</mo><mi>V</mi></math></span><span></span> is defined as <span><math altimg="eq-00005.gif" display="inline" overflow="scroll"><msub><mrow><mi>T</mi></mrow><mrow><mi>x</mi></mrow></msub><mo>=</mo><msub><mrow><mi>d</mi></mrow><mrow><mi>x</mi></mrow></msub><mo stretchy="false">/</mo><mi>n</mi><mo>−</mo><msub><mrow><mi>d</mi></mrow><mrow><mi>x</mi></mrow></msub></math></span><span></span>, where <i>n</i> is the order of <i>G</i> and <span><math altimg="eq-00006.gif" display="inline" overflow="scroll"><msub><mrow><mi>d</mi></mrow><mrow><mi>x</mi></mrow></msub></math></span><span></span> is the valency/degree of <i>x</i>. A topological/graphical index <span><math altimg="eq-00007.gif" display="inline" overflow="scroll"><mstyle><mtext mathvariant="normal">GI</mtext></mstyle></math></span><span></span> is a map <span><math altimg="eq-00008.gif" display="inline" overflow="scroll"><mstyle><mtext mathvariant="normal">GI</mtext></mstyle><mo>:</mo><mo>∑</mo><mo>→</mo><mi>ℝ</mi></math></span><span></span>, where ∑ (respectively, <span><math altimg="eq-00009.gif" display="inline" overflow="scroll"><mi>ℝ</mi></math></span><span></span>) is the set of simple connected graphs (respectively, real numbers). Graphical indices are employed in quantitative structure-property relationship (QSPR) modeling to predict physicochemical/thermodynamic/biological characteristics of a compound. A temperature-based graphical index of a chemical graph <i>G</i> is defined as <span><math altimg="eq-00010.gif" display="inline" overflow="scroll"><msub><mrow><mstyle><mtext mathvariant="normal">GI</mtext></mstyle></mrow><mrow><mi>T</mi></mrow></msub><mo>:</mo><mo>=</mo><msub><mrow><mo>∑</mo></mrow><mrow><mstyle><mtext mathvariant="normal">edges</mtext></mstyle></mrow></msub><mi>f</mi><mo stretchy="false">(</mo><msub><mrow><mi>T</mi></mrow><mrow><mi>x</mi></mrow></msub><mo>,</mo><msub><mrow><mi>T</mi></mrow><mrow><mi>y</mi></mrow></msub><mo stretchy="false">)</mo></math></span><span></span>, where <span><math altimg="eq-00011.gif" display="inline" overflow="scroll"><mi>f</mi><mo stretchy="false">(</mo><msub><mrow><mi>T</mi></mrow><mrow><mi>x</mi></mrow></msub><mo>,</mo><msub><mrow><mi>T</mi></mrow><mrow><mi>y</mi></mrow></msub><mo stretchy="false">)</mo></math></span><span></span> is a symmetric 2-variable map. In this paper, we introduce two new novel temperature-based indices named as the reduced reciprocal product-connectivity temperature (<span><math altimg="eq-00012.gif" display="inline" overflow="scroll"><m
在图 G=(V,E)中,顶点 xx∈V 的温度 Tx 定义为 Tx=dx/n-dx,其中 n 是 G 的阶数,dx 是 x 的价/度。拓扑/图形指数 GI 是一个映射 GI:∑→ℝ,其中 ∑(分别为ℝ)是简单连通图集(分别为实数)。在定量结构-性质关系(QSPR)建模中使用图形指数来预测化合物的物理化学/热力学/生物学特性。化学图 G 的基于温度的图形指数定义为 GIT:=∑edgesf(Tx,Ty),其中 f(Tx,Ty) 是一个对称的 2 变量映射。在本文中,我们引入了两个新的基于温度的指数,它们分别被命名为还原互积连接温度(RRPT)指数和几何算术温度(GAT)指数。通过将这些指数用于苯类烃类总π电子能 Eπ(β) 的结构-性质建模,研究了它们的预测潜力。为了验证统计推论,我们选择了较低的 30 种 BH 作为测试分子,因为它们的 Eπ(β)实验数据也是公开的。首先,我们采用基于计算机的计算方法来计算 30 个低等 BH 的温度指数。利用这些黑洞的 Eπ 实验数据,我们提出了一些 QPSR 模型。我们的统计分析表明,最有效的回归模型实际上是线性的。我们的统计分析表明,RRPT 和 GAT 在关联黑体 Eπ 方面的表现优于现有的所有温度指数。这些结果表明,它们可进一步用于 QSPR 建模。重要的是,我们的研究有助于抵制图形指数的扩散。
{"title":"Comparative analysis of temperature-based graphical indices for correlating the total π-electron energy of benzenoid hydrocarbons","authors":"Sakander Hayat, Jia-Bao Liu","doi":"10.1142/s021797922550047x","DOIUrl":"https://doi.org/10.1142/s021797922550047x","url":null,"abstract":"&lt;p&gt;In a graph &lt;span&gt;&lt;math altimg=\"eq-00002.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;mi&gt;G&lt;/mi&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mo stretchy=\"false\"&gt;(&lt;/mo&gt;&lt;mi&gt;V&lt;/mi&gt;&lt;mo&gt;,&lt;/mo&gt;&lt;mi&gt;E&lt;/mi&gt;&lt;mo stretchy=\"false\"&gt;)&lt;/mo&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt;, the temperature &lt;span&gt;&lt;math altimg=\"eq-00003.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;T&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt; of a vertex &lt;span&gt;&lt;math altimg=\"eq-00004.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;mo&gt;∈&lt;/mo&gt;&lt;mi&gt;V&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt; is defined as &lt;span&gt;&lt;math altimg=\"eq-00005.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;T&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;d&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo stretchy=\"false\"&gt;/&lt;/mo&gt;&lt;mi&gt;n&lt;/mi&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;d&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt;, where &lt;i&gt;n&lt;/i&gt; is the order of &lt;i&gt;G&lt;/i&gt; and &lt;span&gt;&lt;math altimg=\"eq-00006.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;d&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt; is the valency/degree of &lt;i&gt;x&lt;/i&gt;. A topological/graphical index &lt;span&gt;&lt;math altimg=\"eq-00007.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;mstyle&gt;&lt;mtext mathvariant=\"normal\"&gt;GI&lt;/mtext&gt;&lt;/mstyle&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt; is a map &lt;span&gt;&lt;math altimg=\"eq-00008.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;mstyle&gt;&lt;mtext mathvariant=\"normal\"&gt;GI&lt;/mtext&gt;&lt;/mstyle&gt;&lt;mo&gt;:&lt;/mo&gt;&lt;mo&gt;∑&lt;/mo&gt;&lt;mo&gt;→&lt;/mo&gt;&lt;mi&gt;ℝ&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt;, where ∑ (respectively, &lt;span&gt;&lt;math altimg=\"eq-00009.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;mi&gt;ℝ&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt;) is the set of simple connected graphs (respectively, real numbers). Graphical indices are employed in quantitative structure-property relationship (QSPR) modeling to predict physicochemical/thermodynamic/biological characteristics of a compound. A temperature-based graphical index of a chemical graph &lt;i&gt;G&lt;/i&gt; is defined as &lt;span&gt;&lt;math altimg=\"eq-00010.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mstyle&gt;&lt;mtext mathvariant=\"normal\"&gt;GI&lt;/mtext&gt;&lt;/mstyle&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;T&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;:&lt;/mo&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mo&gt;∑&lt;/mo&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mstyle&gt;&lt;mtext mathvariant=\"normal\"&gt;edges&lt;/mtext&gt;&lt;/mstyle&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mi&gt;f&lt;/mi&gt;&lt;mo stretchy=\"false\"&gt;(&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;T&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;,&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;T&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;y&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo stretchy=\"false\"&gt;)&lt;/mo&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt;, where &lt;span&gt;&lt;math altimg=\"eq-00011.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;mi&gt;f&lt;/mi&gt;&lt;mo stretchy=\"false\"&gt;(&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;T&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;,&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;T&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;y&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo stretchy=\"false\"&gt;)&lt;/mo&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt; is a symmetric 2-variable map. In this paper, we introduce two new novel temperature-based indices named as the reduced reciprocal product-connectivity temperature (&lt;span&gt;&lt;math altimg=\"eq-00012.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;m","PeriodicalId":14108,"journal":{"name":"International Journal of Modern Physics B","volume":"46 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2024-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140303369","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Adsorption and formation energies of nucleobase–Fullerene: A first-principles simulation 核碱基-富勒烯的吸附和形成能:第一原理模拟
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-03-25 DOI: 10.1142/s021797922550050x
Nur Anggita Sari, Yosephine Novita Apriati, Ari Dwi Nugraheni, Sholihun

A computational study was conducted using the density functional theory (DFT) method to determine the energy stability of a system composed of deoxyribonucleic acid/ribonucleic acid (DNA/RNA) nucleobase molecules on Fullerene C60 as a potential gene delivery system. The feasibility of the system for gene delivery and nanomedicine applications was assessed by examining the strong geometric bonds formed between Adenine, Cytosine, Guanine, Thymine, and Uracil nucleobases and C59Si molecules in close proximity to Fullerene. The bonding affinities of each nucleobase with Fullerene were observed to follow the order Uracil > Guanine > Cytosine > Thymine > Adenine. Furthermore, calculations of adsorption and formation energies were performed to determine the most stable configuration within the Fullerene structure. Guanine demonstrated the highest stability, indicating its potential as an efficient carrier for the delivery of guanine-based genetic material into cells. Additionally, the Fullerene surface exhibited a high propensity for Cytosine adherence, as evidenced by the lowest adsorption energy observed for the interaction between Cytosine and Fullerene. The potential application of Si-doped Fullerene C60 as a gene delivery system was highlighted, based on the strong interactions observed with DNA/RNA nucleobase molecules. These valuable insights will contribute to the development of efficient gene delivery strategies and offer promising prospects for advancing gene therapy and nanomedicine.

利用密度泛函理论(DFT)方法进行了一项计算研究,以确定富勒烯 C60 上由脱氧核糖核酸/核糖核酸(DNA/RNA)核碱基分子组成的系统作为潜在基因递送系统的能量稳定性。通过研究腺嘌呤、胞嘧啶、鸟嘌呤、胸腺嘧啶和尿嘧啶核碱基与富勒烯 C59Si 分子之间形成的强几何键,评估了该系统用于基因递送和纳米医学应用的可行性。据观察,每种核碱基与富勒烯的键合亲和力都遵循尿嘧啶、鸟嘌呤、胞嘧啶、胸腺嘧啶、腺嘌呤的顺序。此外,还对吸附和形成能量进行了计算,以确定富勒烯结构中最稳定的构型。鸟嘌呤的稳定性最高,这表明它有潜力成为一种高效载体,将鸟嘌呤类遗传物质输送到细胞中。此外,富勒烯表面对胞嘧啶有很高的吸附倾向,胞嘧啶与富勒烯相互作用时的最低吸附能就证明了这一点。根据观察到的与 DNA/RNA 核碱基分子的强相互作用,突出了掺硅富勒烯 C60 作为基因传输系统的潜在应用。这些宝贵的见解将有助于开发高效的基因递送策略,并为推动基因治疗和纳米医学的发展提供了广阔的前景。
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引用次数: 0
Prediction of large spin-valley polarization in the Janus 2H–WSSe monolayer on VN magnetic substrate 预测 VN 磁性衬底上 Janus 2H-WSSe 单层中的大自旋谷极化
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-03-23 DOI: 10.1142/s0217979225500407
Ruoxue Zhang, Zefang Li, Yukai An

Two-dimensional heterostructures based on transition metal dichalcogenides (TMDs) exhibit broad application prospects in valleytronics due to the space-reversal symmetry breaking and strong spin–orbit coupling. In this work, the electronic structure, magnetic anisotropy and valley polarization of 2H–WSSe/VN van der Waals heterostructure under various interlayer spacings, magnetic angle and in-plane strain are investigated in detail by first-principles calculations. The stacked configuration of Se-C2-1 with most stable structure shows the largest valley polarization of 386.5meV. By adjusting the interlayer spacing of heterostructure, the largest valley polarization of 702.7meV appears in Se-C2-1 stacked configuration with interlayer spacing of 2.24 Å. The magnetic angle θ exhibits significant effects on valley polarization and magnetic anisotropy of 2H–WSSe/VN heterostructures. The stability and valley polarization of 2H–WSSe/VN heterostructure decrease after the in-plane biaxial strain is applied. The large and tunable valley polarization as well as magnetic anisotropy in the 2H–WSSe/VN heterostructures make it potential applications in valleytronic devices.

基于过渡金属二卤化物(TMDs)的二维异质结构具有空间反向对称破缺和强自旋轨道耦合的特性,在谷电领域具有广阔的应用前景。本文通过第一性原理计算,详细研究了不同层间间隔、磁角度和面内应变下 2H-WSSe/VN 范德华异质结构的电子结构、磁各向异性和谷极化。结构最稳定的 Se-C2-1 堆叠构型显示出最大的谷极化,为 386.5meV。通过调整异质结构的层间间距,在层间间距为 2.24 Å 的 Se-C2-1 叠层构型中出现了 702.7 meV 的最大谷极化。磁角度 θ 对 2H-WSSe/VN 异质结构的谷极化和磁各向异性有显著影响。施加面内双轴应变后,2H-WSSe/VN 异质结构的稳定性和谷极化都会降低。2H-WSSe/VN 异质结构的谷极化和磁各向异性大且可调,使其在谷电子器件中具有潜在的应用前景。
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引用次数: 0
Numerical solution of steady nonlinear differential equations for compressible flow through a spinning convergent divergent nozzle 通过旋转会聚发散喷嘴的可压缩流的稳定非线性微分方程的数值解法
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-03-23 DOI: 10.1142/s0217979225400041
Syed Wajeeh-ul-Hassan, Mujtaba Arif, Muhammad Abdul Basit, Romana Basit, Muhammad Nauman Aslam

Many projectiles tend to spin about their longitudinal axis while progressing in the forward direction. It helps in providing stability and a reference direction for guidance during their run. Many different projectiles employ a supersonic convergent-divergent nozzle to produce thrust for their forward motion; hence, the nozzle and overall whole propulsion system tend to spin about its axis of rotation. The main aim of this study is to observe the effect of spin on the nozzle. In this research, a converging bell-shaped diverging nozzle is numerically designed using a method of characteristics (MOC) for exit Mach number 3.21. Viscous simulations are performed for both two- and three-dimensional cases. The analysis is then performed with nozzle spinning about its axis of symmetry with a constant angular velocity of 10 revolutions per second. The analysis is repeated for the value of constant angular velocities to be 15 and 20 revolutions per second, and the behavior of flow with increasing angular velocity is examined. It has been observed that the exit Mach number and velocity decrease due to the radial protrusion of the boundary layer, and it has a negative impact on the performance of the nozzle. Moreover, the decrease of exit Mach number is in direct relation to increasing angular velocity.

许多弹丸在向前推进时往往会围绕其纵轴旋转。这有助于在飞行过程中提供稳定性和制导参考方向。许多不同的射弹都采用超音速收敛-发散喷管来产生向前运动的推力;因此,喷管和整个推进系统都倾向于围绕其旋转轴旋转。本研究的主要目的是观察自旋对喷管的影响。在这项研究中,使用特性法(MOC)对出口马赫数为 3.21 的会聚钟形发散喷嘴进行了数值设计。对二维和三维情况进行了粘性模拟。然后在喷嘴以每秒 10 转的恒定角速度绕其对称轴旋转的情况下进行分析。对每秒 15 转和 20 转的恒定角速度值重复进行分析,并研究流动随角速度增加而变化的情况。结果表明,由于边界层的径向突起,出口马赫数和速度都有所下降,这对喷嘴的性能产生了负面影响。此外,出口马赫数的降低与角速度的增加有直接关系。
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引用次数: 0
Heat and mass transfer analysis of a Maxwell-power-law fluid in a laminar planar jet flow with Cattaneo–Christov double diffusion theory 利用卡塔尼奥-克里斯托夫双重扩散理论对层流平面射流中的麦克斯韦幂律流体进行传热传质分析
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-03-23 DOI: 10.1142/s0217979225500390
Zhennan Yang, Chunqiu Wei, Yan Zhang, Yu Bai, Qiao Wang, Chunyan Liu, Muhammad Ramzan

This paper focuses on the heat and mass transfer characteristics of a steady laminar planar jet flow of a Maxwell-power-law (MPL) fluid. MPL is a renowned fluid model with shear thinning and viscoelastic characteristics that can accurately exhibit the rheological features of polymer liquids. In the envisioned study, the MPL constitutive equation is introduced based on an experiment utilizing the Xanthan gum solution. The heat and mass equations are supported by the Cattaneo–Christov double diffusion (CCDD) concept with unique characteristics of thermal conductivity, mass diffusion, and chemical reaction. Thermal conductivity and mass diffusion coefficient are considered to be velocity gradient-dependent. The problem is addressed numerically by the bvp4c method in Matlab after applying the similarity transformations to the governing equations. The impacts of related parameters on velocity, temperature, and concentration are analyzed. Results show that an upsurge in the power-law index hinders momentum, energy, and mass transmission. An interesting phenomenon is that the variation in relaxation time can hinder or promote the heat and mass transfer of a Maxwell-power-law fluid jet before or after the intersection point, respectively. The study can provide a theoretical reference for engineering applications of jets.

本文主要研究麦克斯韦-幂律(MPL)流体的稳定层流平面射流的传热和传质特性。MPL 是一种著名的流体模型,具有剪切稀化和粘弹性特征,能准确显示聚合物液体的流变特性。在设想的研究中,MPL 构成方程是在利用黄原胶溶液进行实验的基础上引入的。热方程和质量方程由卡塔尼奥-克里斯托夫双扩散(CCDD)概念支持,具有独特的导热、质量扩散和化学反应特性。导热系数和质量扩散系数被认为与速度梯度有关。在对控制方程进行相似变换后,采用 Matlab 中的 bvp4c 方法对该问题进行了数值计算。分析了相关参数对速度、温度和浓度的影响。结果表明,幂律指数的上升会阻碍动量、能量和质量的传输。一个有趣的现象是,弛豫时间的变化会在交点之前或之后分别阻碍或促进麦克斯韦幂律流体射流的传热和传质。该研究可为射流的工程应用提供理论参考。
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引用次数: 0
期刊
International Journal of Modern Physics B
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