Molecular dynamics (MD) simulations of liquid tin between its melting point and 1600 °C have been performed in order to interpret and discuss the ionic structure. The interactions between ions are described by a new accurate pair potential built within the pseudopotential formalism and the linear response theory. The calculated structure factor that reflects the main information on the local atomic order in liquids is compared to diffraction measurements. Having some confidence in the ability of this pair potential to give a good representation of the atomic structure, we then focused our attention on the investigation of the atomic transport properties through the MD computations of the velocity autocorrelation function and stress autocorrelation function. Using the Green-Kubo formula (for the first time to our knowledge for liquid tin) we determine the macroscopic transport properties from the corresponding microscopic time autocorrelation functions. The selfdiffusion coefficient and the shear viscosity as functions of temperature are found to be in good agreement with the experimental data. 相似文献
The study of a bubbly laminar two-phase flow in an open capillary channel under microgravity conditions was conducted aboard the sounding rocket, Texus-45. The channel consists of two parallel plates of width b = 25 mm and distance a = 10 mm. The flow along the length l = 80 mm is confined by a free surface on one side and a plate on the opposite side. The bubbles are injected at the nozzle of the capillary channel via six capillary tubes of 100 μm in inner diameter. Different liquid and gas flow rates were tested leading to different liquid free surface shape and bubble size. 相似文献
We combine a dual-mixed finite element method with a Dirichlet-to-Neumann mapping (derived by the boundary integral equation method) to study the solvability and Galerkin approximations of a class of exterior nonlinear transmission problems in the plane. As a model problem, we consider a nonlinear elliptic equation in divergence form coupled with the Laplace equation in an unbounded region of the plane. Our combined approach leads to what we call a dual-dual mixed variational formulation since the main operator involved has itself a dual-type structure. We establish existence and uniqueness of solution for the continuous and discrete formulations, and provide the corresponding error analysis by using Raviart-Thomas elements. The main tool of our analysis is given by a generalization of the usual Babuska-Brezzi theory to a class of nonlinear variational problems with constraints.
Journal of Thermal Analysis and Calorimetry - Over the last few decades, tremendous consideration is drawn towards corrugation surfaces because of their advantages over the improvement in thermal... 相似文献
Recently, considerable interest has been focused on developing greener and biodegradable materials due to growing environmental concerns. Owing to their low cost, biodegradability, and good mechanical properties, plant fibers have substituted synthetic fibers in the preparation of composites. However, the poor interfacial adhesion due to the hydrophilic nature and high-water absorption limits the use of plant fibers as a reinforcing agent in polymer matrices. The hydrophilic nature of the plant fibers can be overcome by chemical treatments. Cellulose the most abundant natural polymer obtained from sources such as plants, wood, and bacteria has gained wider attention these days. Different methods, such as mechanical, chemical, and chemical treatments in combination with mechanical treatments, have been adopted by researchers for the extraction of cellulose from plants, bacteria, algae, etc. Cellulose nanocrystals (CNC), cellulose nanofibrils (CNF), and microcrystalline cellulose (MCC) have been extracted and used for different applications such as food packaging, water purification, drug delivery, and in composites. In this review, updated information on the methods of isolation of nanocellulose, classification, characterization, and application of nanocellulose has been highlighted. The characteristics and the current status of cellulose-based fiber-reinforced polymer composites in the industry have also been discussed in detail. 相似文献
Metallic ratio is a root of the simple quadratic equation x2 = kx + 1 for k is any positive integer which is the characteristic equation of the recurrence relation of k‐Fibonacci (k‐Lucas) numbers. This paper is about the metallic ratio in . We define k‐Fibonacci and k‐Lucas numbers in , and we show that metallic ratio can be calculated in if and only if p≡ ± 1 mod (k2 + 4), which is the generalization of the Gauss reciprocity theorem for any integer k. Also, we obtain that the golden ratio, the silver ratio, and the bronze ratio, the three together, can be calculated in for the first time. Moreover, we introduce k‐Fibonacci and k‐Lucas quaternions with some algebraic properties and some identities for them. 相似文献
Journal of Heuristics - In this article, we study an Inventory Routing Problem with deterministic customer demand in a two-tier supply chain. The supply chain network consists of a supplier using a... 相似文献
The I3d5/2 binding energy has been measured in atomic iodine, thallium iodide and cesium iodide by high temperature gas-phase photoelectron spectrscopy using Al K (1486.6 eV) X-rays. The iodine M5N4,5N4,5 (1G4) Auger energies for TlI and CsI have also been measured and combined with binding energies to yield extra-atomic relaxation energies of 0.5 and O.3 eV, respectively, after corrections are applied to the Auger parameter. Charges were calculated using the simple potential model, which was also used to obtain an estimate of the atomic T14f
binding energy. Two other estimates of the atomic T14f7/2 binding energy have also been calculated, both based on Dirac-Fock ΔSCF binding energies. The results of the three methods suggest a value of 125.3 ± 0.2 eV for T14f7/2. 相似文献
Summary. In the presence of RuCl3, N-phenylamidrazone underwent oxidative cyclization into 1,4-dihydro-1-phenyl-1,2,4-benzotriazine, the structure of which is
established by spectral and X-ray diffraction data. 相似文献