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91.
In this paper, we present a thermomechanical framework which makes use of the internal variable theory of thermodynamics for damage-coupled finite viscoplasticity with nonlinear isotropic hardening. Damage evolution, being an irreversible process, generates heat. In addition to its direct effect on material's strength and stiffness, it causes deterioration of the heat conduction. The formulation, following the footsteps of Simó and Miehe (1992), introduces inelastic entropy as an additional state variable. Given a temperature dependent damage dissipation potential, we show that the evolution of inelastic entropy assumes a split form relating to plastic and damage parts, respectively. The solution of the thermomechanical problem is based on the so-called isothermal split. This allows the use of the model in 2D and 3D example problems involving geometrical imperfection triggered necking in an axisymmetric bar and thermally triggered necking of a 3D rectangular bar. 相似文献
92.
The behavior of hyperelastic energies depending on an internal parameter, which is a function of the deformation gradient, is discussed. As an example, the analysis of two models where the parameter describes the activation of a tetanized skeletal muscle tissue is presented. In those models, the activation parameter depends on the strain and it is shown the importance of considering the derivative of the parameter with respect to the strain in order to capture the proper stress–strain relations. 相似文献
93.
We consider the chemotaxis‐Navier–Stokes system 1.1-1.4 (Keller–Segel system) in the whole space, which describes the motion of oxygen‐driven bacteria, eukaryotes, in a fluid. We proved the global existence and time decay estimate of solutions to the Cauchy problem 1.1-1.2 in with the small initial data. Moreover, when the fluid motion is described by the Stokes equations, we established the global weak solutions to 1.3-1.4 in with the potential function ? is small and the initial density n0(x) has finite mass. 相似文献
94.
Meng-Meng Zhao Lin Zhou Ping-Ping Shi Xuan Zheng Xiao-Gang Chen Ji-Xing Gao Lei He Prof. Dr. Qiong Ye Prof. Dr. Cai-Ming Liu Prof. Dr. Da-Wei Fu 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(25):6447-6454
Organic–inorganic hybrid perovskite-type multiferroics have attracted considerable research interest owing to their fundamental scientific significance and promising technological applications in sensors and multiple-state memories. The recent achievements with divalent metal dicyanamide compounds revealed such malleable frameworks as a unique platform for developing novel functional materials. Herein, two 3D organic–inorganic hybrid perovskites [Et3P(CH2)2F][Mn(dca)3] ( 1 ) and [Et3P(CH2)2Cl][Mn(dca)3] ( 2 ) (dca=dicyanamide, N(CN)2−) are presented. Accompanying the sequential phase transitions, they display a broad range of intriguing physical properties, including above room temperature ferroelastic behavior, switchable dielectricity, and low-temperature antiferromagnetic ordering (Tc=2.4 K for both 1 and 2 ). It is also worth noting that the spontaneous strain value of 1 is far beyond that of 2 in the first ferroelastic phase, as a result of the precise halogen substitution. From the point view of molecular design, this work should inspire further exploration of multifunctional molecular materials with desirable properties. 相似文献
95.
Poojali P. Warekar Priyanka T. Patil Kirti T. Patil Dattatraya K. Jamale Govind B. Kolekar 《合成通讯》2016,46(24):2022-2030
An ecofriendly route has been investigated for the synthesis of 4-(4-nitro-phenyl)-2-phenyl-1,4-dihydro-benzo[4,5]imidazo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester derivatives by one-pot, three-component condensation of ethyl benzoylacetate, aromatic aldehydes, and 2-amino benzimidazole using 260?mol% of citric acid as reaction mediator. Citric acid is an inexpensive, nontoxic, and green medium with smoothly activates the rate of reaction. The synthesized compounds were assessed for in vitro antimycobacterial activity against Mycobacterium tuberculosis H37RV strain using the microplate alamar blue assay (MABA). The results indicate that among all the synthesized compound series, P-4 and P-9 compounds illustrate effective activity with a minimum inhibitory concentration of 25?µg/ml. 相似文献
96.
《Journal of computational chemistry》2018,39(22):1738-1746
Since searching for the global minimum on the potential energy surface of a cluster is very difficult, many geometry optimization methods have been proposed, in which initial geometries are randomly generated and subsequently improved with different algorithms. In this study, a size‐guided multi‐seed heuristic method is developed and applied to benzene clusters. It produces initial configurations of the cluster with n molecules from the lowest‐energy configurations of the cluster with n − 1 molecules (seeds). The initial geometries are further optimized with the geometrical perturbations previously used for molecular clusters. These steps are repeated until the size n satisfies a predefined one. The method locates putative global minima of benzene clusters with up to 65 molecules. The performance of the method is discussed using the computational cost, rates to locate the global minima, and energies of initial geometries. © 2018 Wiley Periodicals, Inc. 相似文献
97.
Effects of graded porous structure on local strain distribution under compression in silicone rubber
Keijiro Yoshimura Kazunori Nakano Takeshi Nishiwaki Yuki Iwama Masanobu Murata 《Journal of Polymer Science.Polymer Physics》2019,57(16):1033-1042
Silicone rubber samples with gradually changing pore sizes within the range of 70–610 μm are produced using an improved spacer method. The samples are scanned using an X‐ray computed tomography to evaluate their graded structure as compared to uniform rubber. A compressive test reveals that graded porous silicone rubber has characteristic stress–strain curves whose slope changes within a specific strain range depending on the porous structure. Analysis results of local strain based on a digital image correlation of the graded porous silicone rubber under compression demonstrate that the characteristic stress–strain properties are caused by shifts in the main deformation region in the graded structure. © 2019 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2019 , 57, 1033–1042 相似文献
98.
Yongshuai Zhang Xiangxing Tao Tengteng Yao Jingsong He 《Studies in Applied Mathematics》2020,145(4):812-827
Based on the inverse scattering method, the formulae of one higher-order pole solitons and multiple higher-order poles solitons of the nonlinear Schrödinger equation (NLS) equation are obtained. Their denominators are expressed as , where is a matrix frequently constructed for solving the Riemann-Hilbert problem, and the asterisk denotes complex conjugate. We take two methods for proving is invertible. The first one shows matrix is equivalent to a self-adjoint Hankel matrix , proving . The second one considers the block-matrix form of , proving . In addition, we prove that the dimension of is equivalent to the sum of the orders of pole points of the transmission coefficient and its diagonal entries compose a set of basis. 相似文献
99.
The effective mass of strained graphene is investigated by tight-binding and density-functional theory calculations. For graphene strained in the zigzag direction, we find a strong anisotropy in the effective mass near the gap opening, with an abrupt increase of the effective mass at the critical strain in one direction and a smooth variation perpendicular to it. There is no band-gap opening for isotropic strain, but at an expansive strain of about 28%, the lower edge of the s-band reaches the Fermi level and makes the graphene metallic. 相似文献
100.
Liuhua Xie 《中国物理 B》2022,31(6):67103-067103
The effect of strain on charge density wave (CDW) order in $\alpha$-U is investigated within the framework of relativistic density-functional theory. The energetical stability of $\alpha$-U with CDW distortion is enhanced by the tensile strain along $a$ and $b$ axes, which is similar to the case of negative pressure and normal. However, the tensile strain along $c$ axis suppresses the energetical stability of CDW phase. This abnormal effect could be understood from the emergence of a new one-dimensional atomic chain along $c$ axis in $\alpha$-U. Furthermore, this effect is supported by the calculations of Fermi surface and phonon mode, in which the topological objects and the dynamical instability show opposite behaviors between strains along $a$/$b$ and $c$ axes. 相似文献