Sharif Digital Repository

A molecular dynamics simulation of the shock-wave propagation in the face-centered cubic (FCC) structured C60 fullerene along the <100>, <110> and <111> crystallographic directions is performed. For this purpose, the response of the material under different shock-wave loadings is studied through Hugoniot curves. Three regimes of the material behavior have been observed from fully elastic to elastic-plastic to plastic. The Hugoniot elastic limit and the phase transition are also investigated along different crystallographic directions. It is shown that the shock wave travels faster along the <110> and <111> directions than in the <100> direction in the material. Comparing the results with the... 

Models for chatter prediction in machining often use a mechanistic force model that calculate the force as the product of a material dependent cutting constant and chip area. However, in reality, the forces are the result of complex interaction between the tool and the chip, and are affected by many factors. The effects of these complex, and often nonlinear, factors on the machining dynamics may only be included in chatter prediction if the chip formation process is simulated concurrently with simulation of the machining dynamics. In this paper, finite element simulation of the chip formation process is combined with simulation of chatter dynamics and the inter-relationship between the chip... 

Machining chatter is an inherently nonlinear phenomenon that is affected by many parameters such as cutting conditions, tool geometry e.g., nose radius and clearance angle and frictional conditions at the tool/workpiece interface. Models for chatter prediction often ignore nonlinearities or introduce them through simple models for friction and geometry. In particular, the effect of chiptool interaction on the occurrence of chatter is not investigated thoroughly. This paper presents a novel approach for prediction of chatter vibration and for investigation of the effects of various conditions on the onset of chatter. This approach uses finite element simulation to investigate the... 

A molecular dynamics (MD) simulation is employed to study the phase transition process in argon induced by shock wave transmission. Deriving the relation between the shock and piston velocities, the theoretical equation of state for argon is presented. Also, argon equation of state is obtained by measuring the quantities directly from simulations to be able to detect the phase transitions. The phase transition is also detected by using argon phase diagram and free energy calculations. A comparison shows good agreement between the theoretical and MD results for the phase transitions. Based on these simulations, it is concluded that under a shock wave transmission with suitable energy, the... 

Porous scaffolds composed of gelatin/poly (vinyl alcohol), (Gel/PVA), were prepared using combination of freeze gelation and freeze drying methods. The effect of polymer concentration, gelatin/PVA ratio, and glutaraldehyde/gelatin ratio (GA/Gel) was investigated on morphology of pores, swelling ratio, biodegradation, and skin cell culture. At optimum preparation conditions the scaffolds had uniform pore size distributions showing high swelling ratio of 23.6. The scaffolds were of biodegradable nature and almost degraded in 28 days. Human dermal fibroblast cells (HDF) were cultured on the scaffolds and MTS assay was conducted to evaluate the influence of PVA on growth and proliferation of the... 

Porous scaffolds composed of gelatin/poly (vinyl alcohol), (Gel/PVA), were prepared using combination of freeze gelation and freeze drying methods. The effect of polymer concentration, gelatin/PVA ratio, and glutaraldehyde/gelatin ratio (GA/Gel) was investigated on morphology of pores, swelling ratio, biodegradation, and skin cell culture. At optimum preparation conditions the scaffolds had uniform pore size distributions showing high swelling ratio of 23.6. The scaffolds were of biodegradable nature and almost degraded in 28 days. Human dermal fibroblast cells (HDF) were cultured on the scaffolds and MTS assay was conducted to evaluate the influence of PVA on growth and proliferation of the... 

Abstract High ductility of metals as well as high strength of ceramics has made the metal/ceramic composites an attractive material for many applications requiring high strength to weight ratios. An important issue in using this material is the behavior of the material and its ceramic-metal interface under various loading, especially at high strain rate. To provide a better understanding of the interface conditions, in this work, a molecular dynamics study of the interface behavior in Al/α-Al2O3 composite as the result of tensile and shear loadings is presented. For this purpose, the reactive force field (ReaxFF) potential function is utilized. The effects of... 

The interfacial behavior of composites is often simulated using a cohesive zone model (CZM). In this approach, a traction-separation (T-S) relation between the matrix and reinforcement particles, which is often obtained from experimental results, is employed. However, since the determination of this relation from experimental results is difficult, the molecular dynamics (MD) simulation may be used as a virtual environment to obtain this relation. In this study, MD simulations under the normal and shear loadings are used to obtain the interface behavior of Al/Al2O3 composite material and to derive the T-S relation. For better agreement with Al/Al2O3 interfacial behavior, the exponential form... 

In this paper we introduce some general necessary conditions for the existence of graph homomorphisms, which hold in both directed and undirected cases. Our method is a combination of Diaconis and Saloff–Coste comparison technique for Markov chains and a generalization of Haemers interlacing theorem. As some applications, we obtain a necessary condition for the spanning subgraph problem, which also provides a generalization of a theorem of Mohar (1992) as a necessary condition for Hamiltonicity. In particular, in the case that the range is a Cayley graph or an edge-transitive graph, we obtain theorems with a corollary about the existence of homomorphisms to cycles. This, specially, provides... 

In this paper we introduce a chromatic parameter, called the fixing chromatic number, which is related to unique colourability of graphs, in the sense that it measures how one can embed the given graph G in G∪Kt by adding edges between G and Kt to make the whole graph uniquely t-colourable. We study some basic properties of this parameter as well as its relationships to some other well-known chromatic numbers as the acyclic chromatic number. We compute the fixing chromatic number of some graph products by applying a modified version of the exponential graph construction  

In this paper, we apply some new algebraic no-homomorphism theorems in conjunction with some new chromatic parameters to estimate the circular chromatic number of graphs. To show the applicability of the general results, as a couple of examples, we generalize a well known inequality for the fractional chromatic number of graphs and we also show that the circular chromatic number of the graph obtained from the Petersen graph by excluding one vertex is equal to 3. Also, we focus on the Johnson–Holroyd–Stahl conjecture about the circular chromatic number of Kneser graphs and we propose an approach to this conjecture. In this regard, we introduce a new related conjecture on Kneser graphs and we... 

We introduce two necessary conditions for the existence of graph homomorphisms based on the concepts of density and power graph. As corollaries, we obtain a lower bound for the fractional chromatic number, and we set forward elementary proofs of the facts that the circular chromatic number of the Petersen graph is equal to three and the fact that the Coxeter graph is a core  

The effect of temperature on the noncontact atomic force microscopy (NC-AFM) surface imaging is investigated with the aid of molecular dynamics (MD) analysis based on the Sutton-Chen (SC) interatomic potential. Particular attention is devoted to the tip and sample flexibility at different temperatures. When a gold coated probe is brought close to the Au (001) surface at high temperatures, the tip and surface atoms are pulled together and their distance becomes smaller. The tip and sample atoms displacement varies in the different environment temperatures and this leads to the different interaction forces. Along this line, to study the effect of temperature on the resulting images, we have...