Computer simulation of martensitic textures

We consider a Ginzburg-Landau model free energy F(ε, e₁, e₂) for a (2D) martensitic transition, that provides a unified understanding of varied twin/tweed textures. Here F is a triple well potential in the rectangular strain (ε) order parameter and quadratic e₁², e₂² in the compressional and shear strains, respectively. Random compositional fluctuations η(r) (e.g. in an alloy) are gradient-coupled to ε, ˜ − ∑_rε(r)[(Δ_x² − Δ_y²)η(r)] in a “local-stress” model. We find that the compatibility condition (linking tensor components ε(r) and e₁(r), e₂(r)), together with local variations such as interfaces or η(r) fluctuations, can drive the formation of global elastic textures, through long-range and anisotropic effective ε-ε interactions. We have carried out extensive relaxational computer simulations using the time-dependent Ginzburg-Landau (TDGL) equation that supports our analytic work and shows the spontaneous formation of parallel twins, and chequer-board tweed. The observed microstructure in NiAl and Fe_xPd_{1 − x} alloys can be explained on the basis of our analysis and simulations.     

Use of tensorial polynomial strength function for strength prediction in laminated polymeric composites

It has been shown recently that a strength function, expressed by a tensorial polynomial for an anisotropic material, can be only of the form

F₄(σ) + F₂(σ) + F₁(σ) ≤ 1

where F_i(σ) are the respective polynomials of order i of the σ tensor components. Some further work in this field is now presented. It will be seen that a notable simplification has been achieved, bringing down the initial number of components of an 8th rank tensor from 3⁸ = 6561 to a more managable number of 42 for orthotropic materials and 11 for the planar case. It is also shown that the three F_i(σ) polynomials cannot exist simulataneously, leading either to the known Tsai and Wu proposal or a new tensorial form. Some considerations to strength theory for isotropic materials are given as well. Finally, applicability of strength theories for composite laminates is discussed, with some suggestions for practical use.     

Experimental micromechanical evaluation of strength of granular materials: Effects of particle rolling

Biaxial compression tests have been performed on assemblies of oval cross-sectional rods, in an effort to evaluate the effects of interparticle friction, particle shape, and initial fabric on the overall strength of granular materials. The variation in the spatial arrangement of the particles (fabric) and particle rolling and sliding are monitored by taking photoelastic pictures at various stages during the course of deformation. Based on this, the following conclusions are obtained. (1) Particle rolling appears to be a major microscopic deformation mechanism, especially when interparticle friction is large. (2) There are relatively few contacts at which relative sliding is dominant, and this seems to be true even when the assembly reaches the overall failure state; this observation is in contradiction to the common assumption that particle sliding is the major microscopic deformation mode. (3) During the course of deformation and up to the peak stress, new contacts are continually formed in such a manner that the contact unit normals tend to concentrate more in a direction parallel to the maximum principal compression. This concentration of unit normals seems to be closely related to the formation of new column-like load paths which carry the increasing axial stress under constant lateral force. After the peak stress, such a column-like microstructure disappears and considerable rearrangement of the load paths takes place, leading to a more diffused (homogeneous) microstructure in the critical state. (4) If a fabric tensor F_ij, i, J = 1,2,3, is defined to be proportional to the volume average of the quantity m_im_j, where m_i are the rectangular Cartesian components of a unit vector along a vector that connects the centroids of two typical contacting granules, then it appears that the overall stress with components σ_ij tends to become coaxial with the fabric tensor F_ij, as the overall deformation continues. For two-dimensional granules the result σ_ij = _OF_ij + β_OF_jkF_kj (k summed) obtained by Mebrabadi, Nemat-Nasser and Oda (1980) by microchemical modeling is confirmed experimentally; _O and β_O are material parameters.     

Structural relaxation in poly(ethylene oxide)-salt solutions

We present the results of molecular dynamics simulations of PEO_xNaI polymer electrolytes, performed to study the influence of NaI on the dynamics of PEO. By calculating the mean square displacement of the CH₂ groups we observe that the Rouse-like motion, typical for short polymer chains, is slowed down under the influence of NaI. This slowing down is also observed in the self part of the intermediate scattering function F^s(k,t), as an increase in the relaxation time. By using the Gaussian approximation it is shown that the stretched exponential relaxation in the small k-limit of F^s(k,t) is a result of the Rouse-like motion of the polymers. We find that our results are in good agreement with neutron spin-echo experiments.     

Analysis of the temperature dependence of the fracture stress of sharp notched bending specimens of a structural steel with respect to intermediate transitions

The flow and fracture stresses, σ_y^g and σ_f^g (δ = crack tip displacement), of sharply notched bending specimens of a structural steel U St 37-1 are measured in the temperature range from full scale to small scale yielding. The best adaption of the experimental results for σ_f^g is obtained by a curve which exhibits an intermediate transition, i.e. which follows in a temperature range between an upper, T_tM¹ and a lower, T_tl¹, transition temperature to the curve σ_y^g(T) for the flow stress with a constant δ = δ₁. This transition corresponds to that of the slip to the twin nucleated fracture. Two analyses [3,5] according to the local fracture stress, σ_f^*, concept show that the amount and the temperature dependence of σ_f^* are somewhat different for both methods, but that both exhibit an increase of σ_f^* in the transition range. It is concluded that each transition in the nucleation mode of the fracture is connected with such a transition in the fracture stress. It may, however, become indistinct or even be covered by the scatter of the experimental points.     

Quantum chemical modelling of point defects in KNbO3 perovskite crystals

We present results of semi-empirical quantum chemical calculations for several perovskite KNb_xTa_1−xO₃ (KTN) solid solutions, as well as point intrinsic defects – F centers and hole polarons bound to K vacancy – in KNbO₃. Method of the intermediate neglect of the differential overlap (INDO) was combined with typically 320-atom supercells and atomic geometry optimization. Analysis of the optimized atomic and electronic structure has clearly demonstrated that several nearest Nb atoms substituting for Ta in KTaO₃ – unlike Ta impurities in KNbO₃ – reveal the self-ordering effect, which probably triggers the ferroelectricity observed in KTN. We predict co-existence of one-site (atomic) and two-site (molecular) polarons with close absorption energies (≈1 eV). When available, the INDO results are compared with ab initio calculations. The relevant experimental data are discussed.     

Characteristics of brittle fracture under general combined modes including those under bi-axial tensile loads

In this paper, the brittle fracture initiation characteristics under general combination of the opening mode (Mode I), sliding mode (Mode II) and tearing mode (Mode III) were investigated both theoretically and experimentally.

First, the perfectly brittle fracture tests were conducted on specimens of PMMA (Polymethylmethacrylate) for all possible combinations of the fracture modes including respective pure modes. The experimental fracture strengths were compared with those predicted by the fracture criteria which are represented in terms of: (1) maximum tangential stress, [σ_gq]_max, extended to general combined modes, (2) maximum energy release rate at the propagation of a small kinked crack, [G^k(γ)]_max, and (3) newly derived maximum energy release rate at the initiation of a small kinked crack, [G(γ)]_max. It was found that the [G^k(γ)]_max or [G(γ)]_max criterion was very effective to predict both the direction of initial crack propagation and the fracture strength. These energy release rates are expressed in closed forms, and the interaction curves of the brittle fracture strength under arbitrary combinations of Modes I, II and III were derived.

Next, for fracture accompanied by plastic deformation, tests were carried out on specimens of mild steel (SM 41) imposing bi-axial tensile loads at various low temperatures. Then, brittle fracture with plastic deformation occurs under a combination of Modes I and II. In the case of brittle fracture with small scale yielding, the [G(γ)]_max criterion predicts well the direction of initial crack propagation but estimates only lower fracture strength than the experimental one. In the cases of brittle fracture with large scale yielding and under general yielding, it was found from the fracture tests that the direction of initial crack propagation was nearly normal to the resultant vector of the crack opening displacements in the opening and sliding modes at the notch tip. To this type of fracture, the modified COD criterion predicts well the direction of initial crack propagation, but lower fracture strength.

When brittle fracture occurs under the influence of plastic deformation, in such cases as the last three mentioned above, the actual fracture strength is higher than what the most reliable criterion predicts and it increases as deformation in Mode II becomes larger.     

On the influence of residual stresses on the fracture behavior of a structural steel in the KIc temperature range

The increase with increasing temperature of K_Ic, measured with 2CT and 1'CT specimens, from about 10³N mm at 77 K to about 2.10³ N mm at about 170 K is attributed to the increasing proportion of dimple to cleavage fracture as revealed by scanning electron microscope investigation.

The specimens were prestrained to different partial scale yielding states by the same kind of loading, performed at 298 K, as in the later K_Ictests, performed at 77 K. After pretension K_Ic = K^*_Ic is increased by a maximum amount of about half of the value K⁰_Icof nonprestrained specimens, after precompression it is reduced by the same amount if this value is evaluated from the load at which a pop-in occurs. The value K_Ic = K^**_Ic for the final fracture lies between K^*_Ic and K⁰_Ic. These results are interpretated in terms of the residual stress states due to prestraining.     

The plastic stress ahead of a mixed mode I and II plane stress crack

The small scale yielding for mixed mode I and II plane stress crack problems in elastic perfectly-plastic solids is analysed by considering the stress field near the crack line. By expanding the stresses near the crack line and matching the stress field in the plastic zone with the elastic dominant field for a blunt crack near the crack line at the elastic-plastic boundary, the problem is reduced to solving a system of nonlinear algebraic equations. The relationship between the near-field mixity parameter M^p and the far-field mixity parameter M^e is detennined by solving the system of equations numerically. Analogous to Shih's calculation by the finite element method for the small scale yielding of mixed mode plane strain crack problems, the numerical results indicate that the shift from a mixed mode to a pure mode may not be a smooth one.     

The driven rivet head dimensions as an indication of the fatigue performance of aircraft lap joints

Solid aluminium alloy rivets are used in joints of aircraft structures. Riveting implies a squeezing process of the rivet stem with large plastic deformations to form the driven rivet head. The dimensions of the driven rivet head (diameter D and height H) depend on the applied squeeze load F_sq. High squeeze loads are beneficial for the fatigue properties of riveted joints. The present investigation is focused on the relation between F_sq and the rivet head dimensions during controlled squeezing. Measurements of D or H will then allow estimation of the applied squeeze load for quality control of the riveting process with respect to the fatigue properties of the joint. Extensive test series were carried out with five rivet materials, three rivet diameters and two sheet materials (2024-T3 and Glare). An equation was derived for F_sq(D) and F_sq(H) based on assuming a zero volume change of the rivet during plastic deformation. The two material constants in the equations were empirically determined for the rivet materials. A satisfactory correlation was obtained.     

Kic Transition-temperature behavior of A517-F Steel

Linear-elastic fracture mechanics has been widely used to obtain K_ic values on very-high-strength steels (yield strengths > 200 ksi) that generally do not exhibit a ductue-to-brittie transition in failure mode as a function of temperature. However, as the use of the K_ic test approach is extended to those steels that do exhibit a ductile-to-brittle transition, information on the K_ic transition-temperature behavior of steels is required. Therefore, to establish general relations between K_ic and Charpy test results, slow-bend K_ic fracture tests and various Charpy tests were conducted on A517-F steel at temperatures between −320 and +80°F.

The results indicated that a plane-strain K_ic température transition does exist for A517-F steel. Furthermore, this transition occurred in the same temperature range (−150 to −50°F) as the transition denned by slow-bend Charpy test results for fatigue-cracked specimens. In both the K_ic tests and the Charpy tests, the transition-temperature behavior appeared to be related to a gradual change in the microscopic fracture mechanism. The upper shelf, as denned by slow-bend Charpy tests, appeared to be a region in which K_ic values cannot be obtained, regardless of specimen geometry, because of general yielding and crack blunting.

A procedure is proposed in which the dynamic K_ic behavior of a material can be predicted from static K_ic test data by shifting the static K_ic values along the temperature axis by the same amount as the static Charpy energy values are shifted by impact testing.

In general, the results of this investigation have demonstrated that a transition in K_ic behavior of A517-F steel does exist as a fution of temperature and that that transition is independent of the K_ic to K_c stress-state transition.     

A two-phase composite materials approach to the workability of concrete

The present article is an attempt to establish basic composition-property relations for fresh concrete, using the two-phase composite materials approach and the law of plastic viscosity. Results of common practical tests of unit weight, slump test and Vebe test on systematic fresh concrete series, performed by the authors, are presented and are expressed through the following analytical models: the simple mixture rule for the unit weight: δ_c = δ_m + (δ_a − δ_m) V_a and the proposed plastic viscosity model for the workability tests: The slump test s_c = s_m The Vebe test T_m = T_m with good agreement. The indices m, a and c refer to the mortar, the aggregate, and the concrete, respectively, and V_a is the volume fraction of the coarse aggregate. The material constants M, k, and k′ depend on the characteristics of the mortar and the coarse aggregate phases. It is concluded that with the development of this analytical model a reasonable solution for the workability of fresh concrete has been obtained.     

Pyroelectric properties of BST/PLT composite thick films with addition of xPbO–(1 − x)B2O3 glass

The Ba_xSr_1−xTiO₃ (BST)/Pb_1−xLa_xTiO₃ (PLT) composite thick films (20 μm) with 12 mol% amount of xPbO–(1 − x)B₂O₃ glass additives (x = 0.2, 0.35, 0.5, 0.65 and 0.8) have been prepared by screen-printing the paste onto the alumina substrates with silver bottom electrode. X-ray diffraction (XRD), scanning electron microscope (SEM) and an impedance analyzer and an electrometer were used to analyze the phase structures, morphologies and dielectric and pyroelectric properties of the composite thick films, respectively. The wetting and infiltration of the liquid phase on the particles results in the densification of the composite thick films sintered at 750 °C. Nice porous structure formed in the composite thick films with xPbO–(1 − x)B₂O₃ glass as the PbO content (x) is 0.5 ≥ x ≥ 0.35, while dense structure formed in these thick films as the PbO content (x) is 0.8 ≥ x ≥ 0.65. The volatilization of the PbO in PLT and the interdiffusion between the PLT and the glass lead to the reduction of the c-axis of the PLT phase. The operating temperature range of our composite thick films is 0–200 °C. At room temperature (20 °C), the BST/PLT composite thick films with 0.35PbO–0.65B₂O₃ glass additives provided low heat capacity and good pyroelectric figure-of-merit because of their porous structure. The pyroelectric coefficient and figure-of-merit F_D are 364 μC/(m² K) and 14.3 μPa^−1/2, respectively. These good pyroelectric properties as well as being able to produce low-cost devices make this kind of thick films a promising candidate for high-performance pyroelectric applications.     

The equivalent channel model for permeability and resistivity in fluid-saturated rock—A re-appraisal

It is affirmed that a consistent development of the equivalent channel model for both fluid permeation and electrical conduction in saturated porous media leads to the expression CR²/F where R is the hydralic radius, F the formation resistivity factor or tortuosity/porosity ratio and C a numerical factor generally around 0.3 to 0.4. This expression is approximately supported by observations reported on granular media and fairly porous rocks. Confirmation of its applicability to low porosity, microcracked rock is still lacking but it would appear to be consistent with measurements on granite in that it indicates that the hydraulic radius (represented by half the mean crack opening width) decreases as the confining pressure is increased. In any application it is important in estimating R and F to take only the connected porosity into account.     

Stress evolution during isochronal annealing of Ni/Si system

Nickel films on Si(001) substrates were annealed in vacuum at a ramp rate of 5°C/min. The total force per unit width (F/W) in the film during isochronal annealing was determined using a laser scanning method for substrate curvature measurements. During heat treatment, several abrupt changes of F/W in the film were observed. A clear correlation between the evolution of F/W and the phase formation sequence was found. X-ray diffraction and sheet resistance measurements revealed that these changes of F/W coincide with the formation sequence of Ni₂Si, NiSi, and NiSi₂.     

木塑结构板材的可靠性预测

通过纵波传播、 纵向共振和弯曲振动三种方法对木塑结构板材的动态弹性模量(MOE)进行了无损检测。采用三点弯曲试验检测木塑结构板材的静态弹性模量和最大弯曲力(F_m)。运用最大弯曲力和动态弹性模量之间的回归方程, 预测相同木塑结构板材的最大弯曲力, 并采用一次二阶矩法评价木塑结构板材基于预测和检测的最大弯曲力的可靠性指标。结果表明: 动态弹性模量和最大弯曲力间存在较强的相关性; 基于预测最大弯曲力的可靠度大于基于检测最大弯曲力的可靠度, 其最大差值为0.66%。     

A comparison between the elastic strain energy and the plastic work at the crack tip

For ductile fractures it becomes progressively imperative to include the plastic components of the quantities defining each particular fracture criterion, in order to derive a relationship, which not only fits the experimental data but also satisfies some appropriate physical principle. In this paper the plastic components of stresses entering in the experessions for the specific plastic work were derived from the plastic singular solution described by the HRR stress field. In order to ascertain the accuracy of such approximate solutions for criteria based on energy balance, a comparison between the components of elastic strain energy density, and its total value, with the specific plastic work (W_p) was undertaken, in order to derive certain conclusions about the importance of the contribution of energy component and the specific plastic work. The analysis was based on the typical case of a transverse internal crack in plate under plane-stress conditions, which is submitted to a mode I deformation. While the dilatational (T_v) and the distortional (T_D) components of elastic SED were calculated for impending plasticity the specific plastic work (W_p) was evaluated by assuming ssy conditions and the theory of HRR field using the plastic singular solution for mode I. It was shown that the contributions of T_v, T_D, T_e (T_e = t_v + T_D) and W_P for different strain hardening exponents were varying with ductile materials, presenting a strong influence of W_p. The conclusion was that for highly strain-hardened materials the contribution of the elastic SED and particularly of T_v is important to the mode of fracture of the plate.     

A model for predicting fatigue crack growth behaviour of a low alloy steel at low temperatures

In the present study, a model to predict the fatigue crack growth (FCG) behaviour at low temperatures is proposed for a low alloy steel (16 Mn). The experimental results indicate that fatigue ductile-brittle transition (FDBT) occurs in 16 Mn steel and the FDBT temperature (T_FDBT) is about 130 K. When T > T_FDBT, the FCG mechanism in the intermediate region is the formation of ductile striation and the FCG rates decrease with decreasing temperature. When T ≈ T_FDBT, the FCG mechanism changes into microcleavage and the fatigue fracture toughness K_fc of the steel decreases sharply. The FCG rates tend to increase as the temperature is further reduced. The test data of the FCG rates are well fitted by the formula developed by Zheng and Hirt. An approximate method to predict ΔK_th of the steel at low temperatures is proposed and then a general expression of the FCG rates is given at temperatures ranging from room temperature to T_FDBT. By means of the expressions proposed in this paper, the FCG rates at low temperatures can be predicted from the tensile properties if the endurance limit σ₋₁ and δk_th, at room temperature are known. Finally, a model for FDBT is tentatively proposed. Using this model, one can predict T_FDBT from the ductile-brittle transition curve determined from impact or slow bending tests of cracked Charpy specimens.     

Evaluation and analysis of interlaminar fracture toughness of bead filled matrix hybrid composite materials using orthotropic fracture mechanics

Evaluation of Mode I interlaminar fracture toughness for unidirectional hybrid composites fabricated with a bead filled epoxies was carried out. The two important fracture toughness parameters, G_IC and K_IC values of hybrid composites, were reviewed in accordance with the orthotropic fracture model. The deviation of measured G_IC and K_IC values from predicted values were explained based on the critical review of the basic assumption of orthotropic fracture model and characteristic material properties of hybrid composites. It can be said that, basically, the orthotropic fracture model can be used for evaluation of hybrid composite materials. However, careful analysis for G_IC and K_IC values which were derived from different source and some correction factor for K_IC values are necessary.     

An Application of Transdermal Antiviral Delivery Systems to the Establishment of a Novel Animal Model Approach in the Efficacy Evaluation for Dermatological Formulations

This report described the establishment and the examination of a novel hairless mouse model in the efficacy evaluation for topical antiviral dosage forms with a focus on the relationship between the in vitro dermal flux of the antiviral agent and the in vivo antiviral efficacy. A unique dose/flux-efficacy relationship in topical antiviral treatment was obtained by applying a series of transdermal acyclovir delivery systems (TADS) for the treatment of cutaneous herpes simplex virus type 1 infected hairless mouse in our earlier study. By konwing the pharmacokinetic parameters of acyclovir in hairless mouse and the flux (J) of a suitable TADS, the skin target site concentration (C*) could be calculated for that patch. With the corresponding C* value, the in vivo permeability coefficient (P_{d,in vivo}) of that patch could be calculated from P_{d,in vivo} = J/C*. The difference between this in vivo permeability coefficient and the in vitro permeability coefficient (P_{d,in vivo}. obtained from in vitro diffusion experiment) was considered due to the blood flow effect in the in vivo condition. This P_{d,in vivo} can be further applied to calculate the C* value of any acyclovir topical formulation with flux, J', from C'*=J'/P_{d,in vivo}, where the C'* represents the calculated skin target site concentration for any acyclovir topical formulation. After knowing different C* values of different dermatological formulations of acyclovir, the efficacy of each formulation can be estimated from the dose/flux-efficacy relationship. Two formulations with different fluxes were examined under this study. The results showed very good correlation between the in vitro acyclovir flux and the in vivo antiviral efficacy and the applicability of this model approach was validated.