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1.
Molecular dynamics (MD) simulations using Morse interaction potential are performed in studies of [110] symmetrical tilt grain boundary (GB) structures with mis-orientation angles 50.5°(Σ11), 129.5°(Σ11), 70.5°(Σ3) and 109.5°(Σ3) at various tempratures. The GB structures are found to start local disordering at about 0.5T m (T m is the melting point of aluminium) for 50.5°(Σ11), 0.32T m for 129.5° (Σ11) and 0.38T m for 70.5°(Σ3), respectively. These results agree with conclusions deduced from the anelastic measurements. But, for twin-boundary structure 109.5°(Σ3), this disordering has not been found even when temperature increases up to 0.9T m . The project supported by the National Natural Science Foundation of China and Laboratory for Non-linear Mechanics of Continuous Media, Institute of Mechanics, Academia Sinica.  相似文献   

2.
The multivariable power dependence of polymer properties on molecular characteristics (Dobkowski, 1981) has been applied to molecular weight dependence of tensile strength, and the known equation of Flory (1945) has been extended taking polydispersity of polymers into account. Constant parameters of the relevant regression equations have been calculated using experimental data on tensile strength and molecular weight averagesM n andM w of polystyrene (PS) and polycarbonate (PC). Then, the critical molecular weight for entanglementsM c has been obtained from the following relationship:A=K M cwhereA and are parameters of the extended Flory equation for the tensile strength, and the constantK = 2 is assumed for linear polymers. It has been found thatM c of injection and compression moulded PS is equal to 34000 and 37350g/mole, respectively, whileM c of injection moulded PC equals to 5000 g/mole. The values ofM c calculated from the polymer tensile strength are consistent with published data obtained by other methods and with the computer modeling calculations. Branched polymers have only qualitatively been discussed. Dimensionless equations have been proposed for tensile strength characteristics for polymer materials.The described procedure can be suggested as applicable to various polymers for the determination of theirM c values. However, more experimental data on another polymer materials will be necessary to support hitherto obtained results.The essential part of a lecture presented during the NATO Advanced Study Institute Rheological Fundamentals of Polymer Processing, Alvor, Portugal, 26 September–7 October 1994  相似文献   

3.
The relative contributions of the viscous, elastic, and texture stresses in flows of modestly concentrated liquid crystalline solutions of poly(-benzyl glutamate) or PBG, at low shear rates are assessed by comparing published experimental rheological and light-scattering data to theoretical predictions. The data considered include ratios of Leslie-Ericksen viscosities, the shear viscosity jump at the transition from the isotropic to the liquid-crystalline state, the dependence of the shear viscosity on concentration, and the fraction of slowly relaxing stress after cessation of shearing flow. We quantify the relative contributions of viscous and elastic stresses by estimating from these data a value for the parameter ß* V str D * r /kT, where str , is the solvent-polymer friction coefficient and D r * is the rotary diffusivity in the isotropic phase at the concentration where the isotropic phase becomes unstable to liquid crystalline order. The experimental evidence suggests a value \* v 0.03, five times lower than the value, 0.15, for dilute solutions. The relative contributions of elastic and texture stresses can be quantified by a parameter in the mesoscopic theory for polydomain nematics; a value of 0.03 gives reasonable agreement with transient shearing experiments, and predicts that the shear viscosity will show an upturn at high polymer concentrations, in agreement with experiments.Dedicated to Prof. Dr. J. Meissner on the occasion of his retirement from the chair of Polymer Physics at the Eidgenössische Technische Hochschule (ETH) Zürich, Switzerland  相似文献   

4.
We report non-equilibrium molecular dynamics simulations of rigid and non-rigid dumbbell fluids to determine the contribution of internal degrees of freedom to strain-rate-dependent shear viscosity. The model adopted for non-rigid molecules is a modification of the finitely extensible nonlinear elastic (FENE) dumbbell commonly used in kinetic theories of polymer solutions. We consider model polymer melts — that is, fluids composed of rigid dumbbells and of FENE dumbbells. We report the steady-state stress tensor and the transient stress response to an applied Couerte strain field for several strain rates. We find that the rheological properties of the rigid and FENE dumbbells are qualitatively and quantitatively similar. (The only exception to this is the zero strain rate shear viscosity.) Except at high strain rates, the average conformation of the FENE dumbbells in a Couette strain field is found to be very similar to that of FENE dumbbells in the absence of strain. The theological properties of the two dumbbell fluids are compared to those of a corresponding fluid of spheres which is shown to be the most non-Newtonian of the three fluids considered.Symbol Definition b dimensionless time constant relating vibration to other forms of motion - F force on center of mass of dumbbell - F i force on bead i of dumbbell - F force between center of masses of dumbbells and - F ij force between beads i and j - h vector connecting bead to center of mass of dumbbell - H dimensionless spring constant for dumbbells, in units of / 2 - I moment of inertia of dumbbell - J general current induced by applied field - k B Boltzmann's constant - L angular momentum - m mass of bead, (= m/2) - M mass of dumbbell, g - N number of dumbbells in simulation cell - P translational momentum of center of mass of dumbbell - P pressure tensor - P xy xy component of pressure tensor - Q separation of beads in dumbbell - Q eq equilibrium extension of FENE dumbbell and fixed extension of rigid dumbbell - Q 0 maximum extension of dumbbell - r ij vector connecting beads i and j - r position vector of center of mass dumbbell - R vector connecting centers of mass of two dumbbells - t time - t * dimensionless time, in units of m/ - T * dimensionless temperature, in units of /k - u potential energy - u velocity vector of flow field - u x x component of velocity vector - V volume of simulation cell - X general applied field - strain rate, s–1 - * dimensionless shear rate, in units of /m 2 - general transport property - Lennard-Jones potential well depth - friction factor for Gaussian thermostat - shear viscosity, g/cms - * dimensionless shear viscosity, in units of m/ 2 - * dimensionless number density, in units of –3 - Lennard-Jones separation of minimum energy - relaxation time of a fluid - angular velocity of dumbbell - orientation angle of dumbbell   相似文献   

5.
The gliding behavior of edge dislocation near a grain boundary (GB) in copper under pure shear stresses is simulated by using molecular dynamics(MD) method. Many-body potential incorporating the embedded atom method (EAM) is used. The critical shear stresses for a single disocation to pass across GB surface are obtained at values of σ c =23MPa ∼ 68 MPa and 137MPa∼274 MPa for Ω=165 small angle tilt GB at 300K and 20K, respectively. The first result agrees with the experimental yield stress σ y (=42MPa) quite well. It suggests that there might be one of the reasons of initial plastic yielding caused by single dislocation gliding across GB. In addition, there might be possibility to obtain yield strength from microscopic analysis. Moreover, the experimental value of σ y at low temperature is generally higher than that at room temperature. So, these results are in conformity qualitatively with experimental fact. On the other hand, the Ω=25 GB is too strong an obstacle to the dislocation. In this case, a dislocation is able to pass across GB under relatively low stress only when it is driven by other dislocations. This is taken to mean that dislocation pile-up must be built up in front of this kind of GB, if this GB may take effect on the process of plastic deformation. The project supported by KM85-33 of Academia Sinica and the National Natural Science Foundation of China  相似文献   

6.
A set of equations with generalized permeability functions has been proposed by de la Cruz and Spanos, Whitaker, and Kalaydjian to describe three-dimensional immiscible two-phase flow. We have employed the zero interfacial tension limit of these equations to model two phase miscible flow with negligible molecular diffusion. A solution to these equations is found; we find the generalized permeabilities to depend upon two empirically determined functions of saturation which we denote asA andB. This solution is also used to analyze how dispersion arises in miscible flow; in particular we show that the dispersion evolves at a constant rate. In turn this permits us to predict and understand the asymmetry and long tailing in breakthrough curves, and the scale and fluid velocity dependence of the longitudinal dispersion coefficient. Finally, we illustrate how an experimental breakthrough curve can be used to infer the saturation dependence of the underlying functionsA andB.Roman Letters A a surface area; cross-sectional area of a slim tube or core - A 1s pore scale area of interface between solid and fluid 1 - A 12 pore scale area of interface between fluid 1 and fluid 2 - A(S 1) fluid flow weighting function defined by Equation (3.21) - a i ,b a ,c a ,d i macro scale parameters,i=1...2 (Section 3); polynomial coefficients,i=1...N (Section 7) - B(S 1) fluid flow weighting function defined by Equation (3.16) - c e effluent concentration - c i mass concentration fluidi=1...2 - c fi fractional mass concentration of fluidi=1...2 - D dispersion tensor - D m mechanical dispersion tensor - D 0 molecular dispersion tensor - D L longitudinal dispersion coefficient - D T transverse dispersion coefficient - D L 0 defined by Equation (6.21) - F(c f2) defined by Equation (5.17) - f 1(S 1) fractional flow - g acceleration of gravity - j 2 deviation mass flux of fluid 2 - K permeability of porous medium - K ij generalized relative permeability function,i=1...2,j=1...2 - K ri relative permeability functions,i=1...2 - L length of a slim tube or core - M i total mass of fluidi=1...2 in volumeV - N number of points used to generate numerical curves - n unit normal to a surface - P pressure - P i pressure in fluidi=1...2 - P c capillary pressure - P 12 macroscopic capillary pressure parameter - P(x) normal distribution function - q Darcy velocity of total fluid - q i Darcy velocity of fluidi=1...2 - S i saturation of fluidi=1...2 - S L a low saturation value forS 1 - S H a high saturation value forS 1 - u average intersitial fluid velocity - u S isosaturation velocity - V volume used for volume averaging - V(c f2) function defined by Equation (6.28) - V e effluent volume - V f fluid volume - V i volume of fluidi=1...2 (Section 2); injected fluid volume - V p pore volume of a slim tube or core - v macro scale fluid velocity - v i macro scale velocity of fluidi=1...2 - q (S 1) isosaturation speed - g (S 1) component of isosaturation velocity due to gravity - w(S L,S H,t) width of a displacement front - w(t) overall width of a displacement front Greek Letters static interfacial tension - ME macroscopic dispersivity - divergence operator - porosity - i fraction of pore space occupied by fluidi=1...2 - (S 1) effective viscosity of the fluid - i viscosity of fluidi=1...2 - 12 macroscopic fluid viscosity coupling parameter - macro scale fluid density - i density of fluid i=1...2 - q effective gravitational fluid density  相似文献   

7.
The rheology of tetrafluoroethylene/hexafluoropropylene (TFE/HFP) copolymers, also known as Teflon FEP polymers, having different molecular weight and composition (HFP content) was studied by means of a parallel-plate rheometer. Two groups of polymers having different molecular weights with nearly constant polydispersity (around 2.5) were considered; namely, one group having a relatively low melting temperature (amorphous with a high content of HFP) and a second group having a higher melting point (semi-crystalline with a lower content of HFP). The relaxation time spectrum, H(λ), calculated by use of the BSW model (developed for monodisperse linear polymers) followed a scaling relationship in the terminal zone with scaling exponent of 0.13. However, at higher frequencies the model fails to predict adequately the experimental data. The longest relaxation time calculated from both the BSW model and discrete relaxation spectra (λ i ,g i ), which was determined by use of a parsimonious fitting software, depends on the molecular weight in a similar way as the zero-shear viscosity does with the well-established scaling factor of 3.4. The critical molecular weight for the onset of entanglements, M c , was found to be about 100000, a value much higher than those previously reported in literature for other polymers. The rheology of resins in the second group (higher melting point) was found to exhibit a strong dependence on thermal history during oscillatory-shear measurements. The data obtained in experiments at different temperatures without a preheating to a certain value (330°C) exhibited a violation of the time-temperature superposition principle and no well-defined values of the zero-shear viscosity. This is attributed to residual crystallinity even at temperatures well above their melting point (260°C). However, the same experiments with preheating and subsequent cooling to desired temperature resulted into a very good time-temperature scaling. Received: 13 January 1998 Accepted: 6 April 1998  相似文献   

8.
Zero shear viscosities, 0, were determined by means of a magnetoviscometer for melts of poly(n-butyl methacrylate) (M = 8.7 to 450 kg/mol, T =53.5 to 200°C) and for concentrated solutions of the highest molecular weight sample in isopropanol (T = 34.8 to 131.5 °C). Master curves can be constructed in both cases if the reference temperature is set proportional to the gelation temperature of the particular fluid. Special intersegmental interactions (eventually leading to thermoreversible gelation) can above all be felt in 0 (T) and in M c , the critical molecular weight determined in plots of log 0 vs. log M. As the temperature is lowered, the behavior changes from WLF to Arrhenius, and M c declines considerably. The former observation is explained by analogy to the transition from fragile to hard glasses resulting from increased crosslinking. The latter effect can also be rationalized in terms of a physical network reducing the molecular weight that is required for the formation of entanglements.  相似文献   

9.
The strain hardening of blends of polystyrene (PS) and ultra-high molecular weight polystyrene (UHMW-PS) in elongational flow is modeled by the molecular stress function (MSF) theory. Assuming that the ratios of strain energies stored in polydisperse and monodisperse polymers are identical for linear and nonlinear deformations, the value of the only non-linear parameter of the theory in extensional flows, the maximum molecular stress fmax, can be determined and is shown to be related to steady-state compliance Je0. Using only linear-viscoelastic data, the elongational viscosity of PS/UHMW-PS blends is consistently predicted by the MSF theory.  相似文献   

10.
It has previously been shown that the plateau modulus, GNo, and thus the entanglement molecular weight, Me, of flexible polymers can be correlated to the unperturbed chain dimension, <R2>o/M, and mass density, , via the use of the packing length, p. For polyolefins, a method was recently proposed whereby knowledge of the average molecular weight per backbone bond, mb, allows <R2>o/M and consequently GNo and Me to be estimated. This is particularly valuable for polyolefin copolymers since the melt chain dimensions are often unknown. This work corroborates these theoretical predictions by studying the rheology of a series of carefully synthesized ethylene/octene copolymers with varying octene content (19–92 wt%). Furthermore, the results reported herein also allow the advancement of rheological characterization techniques of polymer melts. For instance, based on the analysis of the linear viscoelastic properties of these copolymers, it has been found that several rheological parameters scale with the copolymer comonomer content. Analysis of the viscoelastic material functions in terms of the evolution of the phase angle, , as a function of the absolute value of the complex modulus, |G*|, (the so-called van Gurp–Palmen plots), provides a fast and reliable rheological means for determining the composition of ethylene/-olefin copolymers. The crossover parameters, Gco(=G=G) and co(=1/co) also scale with copolymer composition.Submitted for publication to Rheologica Acta
An erratum to this article is available at .  相似文献   

11.
依据摩擦学定量构效关系理论(QSTR),采用比较分子力场分析(CoMFA)和比较分子相似性指数分析(CoMSIA)这两种方法研究了含氮杂环类润滑油添加剂的抗磨损性能的摩擦学三维定量构效关系(3D-QSTR),并建立了相应的3D-QSTR模型.结果表明:仅利用静电场构建CoMFA或CoMSIA模型时,模型预测能力最好,r~2,q~2均大于0.5.根据CoMFA或CoMSIA模型等高线图分析得出:分子静电场对含氮杂环类润滑油添加剂的抗磨损性能影响最大,在特定区域的引入带负电荷或带正电荷的基团将有助于抗磨性能的提高.  相似文献   

12.
Viscoelastic parameters are strongly connected with the glass transition temperature and the degree of cross-linking of polymers. In this paper an attempt was undertaken to analyse the storage modulus in the rubbery plateau and the transition region of a series of plasticized epoxy polymers, in terms of their network structure, by means of dynamic measurements.A series of dynamic tests was carried out at frequencies between 0.1 and 100 Hz and temperatures from 50 °C to 140 °C. By applying the time-temperature superposition principle, composite curves for the storage modulusE () were derived over a wide frequency range.The crosslink density, or the molecular weight, between crosslinks could be changed by adding different amounts of plasticizer in the epoxy polymer, and it was calculated by applying the theory of rubber elasticity. The glass transition temperatureT g for each substance was found to be influenced by the amount of plasticizer and the molecular weight between crosslinks. This behaviour of the highly crosslinked epoxies was different from that of rubbers or analogous materials.Finally, an estimation of the free volume of the materials tested was attempted by using the WLF-equation.  相似文献   

13.
14.
In the past decades, there was considerable controversy over the Lucas–Washburn (LW) equation widely applied in capillary imbibition kinetics. Many experimental results showed that the time exponent of the LW equation is less than 0.5. Based on the tortuous capillary model and fractal geometry, the effect of tortuosity on the capillary imbibition in wetting porous media is discussed in this article. The average height growth of wetting liquid in porous media driven by capillary force following the [`(L)] s(t) ~ t1/2DT{\overline L _{\rm {s}}(t)\sim t^{1/{2D_{\rm {T}}}}} law is obtained (here D T is the fractal dimension for tortuosity, which represents the heterogeneity of flow in porous media). The LW law turns out to be the special case when the straight capillary tube (D T = 1) is assumed. The predictions by the present model for the time exponent for capillary imbibition in porous media are compared with available experimental data, and the present model can reproduce approximately the global trend of variation of the time exponent with porosity changing.  相似文献   

15.
The near wake of square cylinders with different corner radii was experimentally studied based on particle imaging velocimetry (PIV), laser doppler anemometry (LDA) and hotwire measurements. Four bluff bodies, i.e., r/d=0 (square cylinder), 0.157, 0.236, 0.5 (circular cylinder), where r is corner radius and d is the characteristic dimension of the bluff bodies, were examined. A conditional sampling technique was developed to obtain the phase-averaged PIV data in order to characterize quantitatively the effect of corner radii on the near-wake flow structure. The results show that, as r/d increases from 0 to 0.5, the maximum strength of shed vortices attenuates, the circulation associated with the vortices decreases progressively by 50%, the Strouhal number, St, increases by about 60%, the convection velocity of the vortices increases along with the widening of the wake width by about 25%, the vortex formation length and the wake closure length almost double in size. Meanwhile, both the vortex wavelength, λ x , and the lateral spacing, λ y , decrease as r/d increases, but the ratio of λ y to λ x is approximately 0.29, irrespective of r/d, which is close to the theoretical value of 0.281 for a stable Karman vortex street. The decrease in wavelength is probably responsible for the change in the flow structure from the approximately circular-shaped vortex at r/d=0 to the laterally stretched vortex at r/d=0.5. The leading edge corner radius is more important than the trailing one in influencing the near wake structure since it determines to a great extent the behavior of the streamlines, the separation angle and the base pressure. It is further found that the ratio of the mean drag coefficient to the total shed circulation, C d0, approaches a constant, about 0.25 for different bluff bodies in the subcritical flow regime. The streamwise evolution of vortices and the streamwise fluctuating velocity along the centerline for rounded cylinders are also discussed.  相似文献   

16.
 This paper reports on progress in the study of the water entry phenomenon. First, an experiment conducted measuring the velocity of the projectile after water entry. An empirical formula was obtained describing the change of the velocity of an underwater projectile with water depth. From the formula, the velocity decay coefficient β=0.5ρw A o C d/m, was determined, where ρw is the water density, A o is the projection area of the projectile, C d is the drag coefficient and m is the mass of the projectile. A theoretical model was then presented to describe the motion of the projectile during entry. Based on the obtained value of β, when the projectile was treated equivalently as a sphere, the theoretical water depth for deep closure of the cavity was predicted. Received: 10 February 2000/Accepted: 20 July 2000  相似文献   

17.
 The paper describes new experimental results regarding the pressure fields in front of and inside granular layers of different materials during their collision with weak shock waves. A variety of waves result from the shock wave-granular layer interaction. The pressure behind the reflected wave from the material interface approaches the equilibrium value, P 5, which would have been reached had the shock wave reflected from a solid end-wall. The wave succession inside the layer depends solely on two processes: the complex interaction of the compaction wave with the granular material and the gas filtration, which affects the particles by the drag forces between the two phases. Inside a material with a permeability coefficient f>0.001 mm2 the transmitted wave moves with a constant velocity which is largely governed by the gas filtration. For low permeability materials ( f<0.0003 mm2) the transmitted wave trajectory strongly depends on the compaction wave propagation. In such cases the compaction wave was found to be unsteady and its acceleration was higher in material having low material densities. The maximum compressive stress values, P c , reached at the shock tube end-wall, covered by the materials under investigation, manifested as an unsteady pressure peak twice as large as the gas pressure P 5, measured ahead of the layer. Comparing the present data with those available in the literature showed that the amplitude of the unsteady pressure peak was higher in materials having low effective densities, γ, and small permeability coefficients f. Contrary to flexible foams where the available experimental data indicated that the compressive stress in the post peak period converges to P 5=P g , the results obtained in the present study indicated that during the test time the compressive stress, P s , was well preserved in the material and for most of the sample length its value was within the range P s >P 5>P g . Received: 4 March 1996 / Accepted:26 September 1996  相似文献   

18.
纳米颗粒增强镍基MEMS器件材料的蠕变性能研究   总被引:1,自引:0,他引:1  
利用同步辐射LIGA微铸复合工艺,将纳米氧化物增强颗粒复合到微电子机械系统(MEMS)结构材料中。制作了专用夹具,采用微力材料试验机测量了纳米Al2O3颗粒增强镍基复合材料的强度为1GPa;将恒加载速率/载荷法和恒载荷法相结合,利用纳米压痕仪测量了该材料的室温蠕变速率敏感指数m。结果表明,LIGA复合技术得到的纳米颗粒增强镍基复合材料具有较高的强度;MEMS器件材料在室温下会发生蠕变;材料在相同压深下最大载荷不随加载速率而改变,加载段粘弹性和粘塑性变形极少;主要由局部高应力导致压痕蠕变;材料的蠕变速率敏感指数m值为0.004,说明纳米Al2O3颗粒可有效增强基体材料的抗蠕变能力;且不同恒.P/P下获得的m值基本相同,表示此种材料对加载速率不敏感。  相似文献   

19.
The stability of the laminar helical flow of pseudoplastic liquids has been investigated with an indirect method consisting in the measurement of the rate of mass transfer at the surface of the inner rotating cylinder. The experiments have been carried out for different values of the geometric parameter = R 1/R 2 (the radius ratio) in the range of small values of the Reynolds number,Re < 200. Water solutions of CMC and MC have been used as pseudoplastic liquids obeying the power law model. The results have been correlated with the Taylor and Reynolds numbers defined with the aid of the mean viscosity value. The stability limit of the Couette flow is described by a functional dependence of the modified critical Taylor number (including geometric factor) on the flow indexn. This dependence, general for pseudoplastic liquids obeying the power law model, is close to the previous theoretical predictions and displays destabilizing influence of pseudoplasticity on the rotational motion. Beyond the initial range of the Reynolds numbers values (Re>20), the stability of the helical flow is not affected considerably by the pseudoplastic properties of liquids. In the range of the monotonic stabilization of the helical flow the stability limit is described by a general dependence of the modified Taylor number on the Reynolds number. The dependence is general for pseudoplastic as well as Newtonian liquids.Nomenclature C i concentration of reaction ions, kmol/m3 - d = R 2R 1 gap width, m - F M () Meksyn's geometric factor (Eq. (1)) - F 0 Faraday constant, C/kmol - i l density of limit current, A/m3 - k c mass transfer coefficient, m/s - n flow index - R 1,R 2 inner, outer radius of the gap, m - Re = V m ·2d·/µ m Reynolds number - Ta c = c ·d3/2·R 1 1/2 ·/µ m Taylor number - Z i number of electrons involved in electrochemical reaction - = R 1/R 2 radius ratio - µ apparent viscosity (local), Ns/m2 - µ m mean apparent viscosity value (Eq. (3)), Ns/m2 - µ i apparent viscosity value at a surface of the inner cylinder, Ns/m2 - density, kg/m3 - c angular velocity of the inner cylinder (critical value), 1/s  相似文献   

20.
Data collected from several studies of experimental and numerical nature in wall-bounded turbulent flows and in particular in internal flows (channel and pipe flows, Mochizuki and Nieuwstadt [1]) at different Reynolds numbers R +(Ru */ν), indicate that: (i) the peak of the rms-value (normalized by u *) of the streamwise velocity fluctuations (σ u +|peak) is essentially independent of the Reynolds number, (ii) the position of the rms peak value (y +|peak) is weakly dependent of the Reynolds number, (iii) the skewness of the streamwise velocity fluctuations (S u ) is close to zero at the position in which the variance has its peak. A series of measurements of streamwise velocity fluctuations has been performed in turbulent pipe flow with the use of an Ultrasonic Doppler Velocimeter and our results support those reported in [1]. This revised version was published online in July 2006 with corrections to the Cover Date.  相似文献   

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