Comparison between global phenomenological and microscopic optical potentials for proton as projectile below 100 MeV

For 112 target nuclei (52 elements) with proton as projectile, we calculate the reaction cross sections and elastic scattering angular distributions, as well as the X2 values for 16 kinds of proton optical model potentials: two sets of phenomenological global optical potentials and the microscopic optical potentials proposed by Shen et al for 14 sets of Skyrme force parameters: GSI-6, SBJS, SKM, SGI-Ⅱ, SKa-b, SG01-Ⅱ.We find that for obtaining the proton microscopic optical potential based on the nuclear matter approach with Skyrme force, SGI, SKa and SKb are the three sets of optimal Skyrme force parameters.     

Micro scale laser shock forming of pure copper and titanium sheet with forming/blanking compound die

A new process fabricating micro parts of thin metal foils by laser shock waves with forming/blanking compound die is reported in this article, in which flexible rubber material was used as the soft punch to act on the thin metal sheet. Systematic studies were carried out experimentally on the process with different laser energies and materials. The formed parts were examined in terms of their morphology, surface roughness, forming depth and mechanical properties (including nanohardness, plasticity and elastic modulus) characterized by nanoindentation test. According to the results, the ablation states of confinement medium and the surface roughness of the different regions change with energies. Additionally, the proper energies are necessary to form complex parts and the forming process can be applied to manufacture parts with good surface quality. What׳s more, the nanoindentation test results showed that the nanohardness, plasticity and elastic modulus of material were increased after impact. The increase in nanohardness and plasticity can attribute to higher stiffness of the parts. The enhanced elastic modulus indicates an increased stiffness of the parts, providing an evidence for the reduced spring back of copper during laser shocking.     

The influence of 3d-metal alloy additions on the elastic and thermodynamic properties of CuPd3

Embedded-atom method （EAM） potentials are used to investigate the effects of alloying （e.g. 3d-metals） on the trends of elastic and thermodynamic properties for CuPd3 alloy. Our calculated lattice parameter, cohesive energy, and elastic constants of CuPd3 are consistent with the available experimental and theoretical data. The results of elastic constants indicate that all these alloys are mechanically stable. Further mechanical behavior analysis shows that the additions of Cr, Fe, Co, and Ni could improve the hardness of CuPd3 while V could well increase its ductility. Moreover, in order to evaluate the thermodynamic contribution of 3d-metals, the Debye temperature, phonon density of states, and vibrational entropy for CuMPd6 alloy are also investigated.     

类金刚石薄膜力学特性的分子动力学模拟

基于Brenner的REBO势函数,利用分子动力学方法模拟了含氢量不同的类金刚石薄膜的纳米压痕过程,依据得到的加载卸载曲线,计算了薄膜的刚度、硬度以及弹性模量.结果表明:类金刚石薄膜的硬度由氢含量和sp³键含量两个因素共同决定;当薄膜中氢含量小于39% 时,薄膜硬度主要取决于sp³键含量,sp³键越多,硬度越高;当薄膜中氢含量达到52%,薄膜硬度则显著下降,此时氢的作用占据主导地位. 关键词： 类金刚石薄膜 分子动力学模拟 纳米压痕 硬度     

Toughening through multilayering in TiN–AlTiN films

The damage response of columnar multilayers of TiN and AlTiN to Vickers indentation is studied through focused ion beam machining and elastic modelling. Multilayers display an enhanced resistance, which increases with layer refinement, to the multiple fracture modes that appear at high loads in these materials, including edge (nested) cracks and inclined shear cracks. Measurements of layer thickness reveal that multilayers display additional modes of plastic deformation that lead to permanent compression and bending of the film. An elastic model of contact deformation in a bilayer where plasticity is mimicked by greatly enhanced elastic compliance of the film is used to rationalize the trends in crack resistance. It is shown that the enhanced toughness is not due to any increase in the strain capacity (hardness/modulus) of the film material, brought about by multilayering.     

An Investigation of 4He+12C and 4He+16O Reactions Using the Cluster Model

The α -target semimicroscopic single folding potentials have been derived by folding a composite (repulsive and attractive) effective α-α interaction with the α -cluster distribution density in the target nuclei. The obtained potentials are considered as the real part of the nuclear optical model potentials, while the imaginary parts are phenomenologicaly expressed using the Woods-Saxon form. Nine sets of measured experimental data of the ⁴He+¹²C and ⁴He+¹⁶O elastic rainbow scattering over the energy range 80-240 MeV are analyzed using the obtained potentials. The data are successfully reproduced using the extracted potentials. The resulted reaction cross sections are also investigated and compared with the available corresponding data.     

A negative-stiffness phase in elastic composites can produce stable extreme effective dynamic but not static stiffness

We investigate the effective elastic properties and overall stability of four specific two-phase elastic composite systems having a non-positive-definite phase (often referred to as a negative-stiffness phase) to determine whether or not the presence of the negative-stiffness phase can lead to stable extreme overall stiffness. We start with an instructive spring-mass model to illustrate the underlying physical mechanisms before proceeding to the two- and three-dimensional two-phase solids of coated cylindrical and coated spherical inclusions, and we finally study a general particle-matrix composite. For all examples, we correlate effective stiffness with overall stability to demonstrate that the static effective stiffness measures can never reach extreme values due to the inclusion of a negative-stiffness phase in a stable manner, while dynamic loading indeed permits resonance-induced extreme effective stiffness.     

Micromechanical properties of carbon–silica aerogel composites

Materials’ endurance to mechanical stress is desirable from a technological point of view. In particular, in the case of silica aerogels, an improvement of the material elasticity is needed for some applications. Carbon–silica aerogel composites have been obtained and their mechanical properties, Young’s modulus, elastic parameter and hardness, have been evaluated with a dynamical, non-destructive microindentation technique. Large changes are found in Young’s modulus when only a small amount of carbon is added. This is clearly shown in the shape of the indentation curves as well as in the increase of the elastic parameter value, which evaluates the percentage of elasticity versus plasticity. Young’s modulus values obtained for carbon–silica aerogels show a similar variation with the carbon mass fraction to that predicted by a commonly used model for composite materials. The measured hardness values corresponding to the total elastoplastic deformation do not show such a prominent dependency on the carbon mass fraction as the elastic parameter and Young’s modulus do and they are similar to those measured for the pure-silica aerogel. Received: 18 May 2001 / Accepted: 30 July 2001 / Published online: 30 October 2001     

Dynamic ball hardness tests on polymers

The present work demonstrates the possibility of determining and differentiating the elastic and plastic material properties (like the Young's modulus, the ball hardness under load, and the plastic hardness) by applying the dynamic ball hardness indentation test. In Ref. 1, the elastic properties are neglected. Nevertheless, the obtained hardness number includes both elastic and plastic parts. Now, the continuous data acquisition allows the determination of the elastic modulus of the polymer and also its dynamic and thermal dependence. Furthermore, a way of specifying a plastic hardness number is shown. Using the approach of Oliver and Pharr [2] enables the separation of the real material property of plastic hardness. Topographic measurements allowed taking the wall formation during a hardness test into account while analyzing the impression. It turned out that the elastic modulus determined in the manner described is independent of the penetration rate, but decreases with increasing temperature or caoutchouc mass content. Also, the dynamic and thermal dependence of the hardness are discussed.     

Modelling of the stiffness of elastic body

It is necessary for designing vibration-isolation systems to know the components’ static stiffness, dynamic stiffness and shock stiffness, which are obtained through experiment at present. If the stiffness model of (viscous) elastic body is set-up, the essence of stiffness will be clearer and the experiment simpler. This paper presents a new method for modelling the stiffness of elastic body with viscoelastic theory. The parameters of the model set-up by using this method can be determined easily and present the characteristics of the elastic body's static stiffness, dynamic stiffness and shock stiffness.     

Optical model analysis of p+6He scattering over a wide range of energy

Optical-model analysis of proton elastic scattering from ⁶He has been carried out for eight sets of elastic scattering data at energies, 24.5, 25.0, 36.2, 38.3, 40.9, 41.6, 71.0 and 82.3 MeV/n respectively. The vector analyzing power and differential cross section for the elastic scattering of ⁶He nucleus from polarized protons at 71 MeV have been analyzed in the framework of the optical model potentials. The data are, first, analyzed in term of phenomenological potentials using the Woods-Saxon form for the real and imaginary parts supplemented by a spin-orbit potential of Thomas form. The analysis has been also performed using microscopic complex potentials.     

用纳米压痕法分析溶剂对聚醚醚酮(PEEK)力学性能的影响

Poly (ether ether ketone)(PEEK) is a high-performance semi-crystalline thermoplastic polymer.Exposure of the polymeric surface to solvents can have a strong effect like softening/swelling of polymeric network or dissolution.In this study,nano-indentation analysis was performed to study the effect of acetone on the surface mechanical properties of PEEK using different exposure time.The experiments were performed with a constant loading rate (10 nm/s) to a maximum indentation displacement (1000 nm).A 30-second hold segment was included at the maximum load to account for any creep effects followed by an unloading segment to 80% unloading.The indentation hardness and the elastic modulus were computed as a continuous function of the penetration displacement in the continuous stiffness mode (CSM) indentation.The experimental data showed that the peak load decreased from ~5.2 mN to ~1.7 mN as exposure time in solvent environment increased from 0 to 18 days.The elastic modulus and the hardness of PEEK samples also displayed a decreasing trend as a function of exposure time in the solvent environment.Two empirical models were used to fit the experimental data of hardness as a function of exposure time which showed a good agreement with the experimental values.     

The Born repulsive parameters and dielectric behaviour of alkali halides

The dependence of the Born repulsive parameters of alkali halides on elastic and dielectric data has been discussed. The values of hardness parameter in alkali halides have been recalculated using the revised values of van der Waals energies. It is observed that the two sets of hardness parameter corresponding to elastic and dielectric data differ from each other but become compatible if an effective charge parameter for the ions is introduced. Its usefulness has been demonstrated by calculating the strain derivative of static dielectric constant of alkali halides.     

Modelling and dynamic properties of a novel solid and liquid mixture vibration isolator

Solid and Liquid Mixture (SALiM) vibration isolator is a new isolator which is designed for vibration isolation of heavy equipment with low frequency. The isolator contains liquid and elastic solid elements as working media. To get the stiffness property of the isolator, this paper establishes the mechanics model of elastic solid elements by introducing plate-shell model. Considering geometry nonlinearity, the stiffness of the element under outer liquid pressure and inner air pressure was obtained by perturbation method. Then the stiffness of isolator is derived. As a result, the stiffness is piecewise linear-nonlinear and determined by parameters of the elastic elements and elastic container. In addition, the equation of motion (EOM) of a single degree of freedom system supported by a SALiM isolator is given. The properties of the frequency response function (FRF) of the system are analysed using averaging method which is a classical approximation approach for estimating nonlinear system FRF. And it is found that the system with SALiM isolator shows softening stiffness behaviour. The jumping phenomenon clearly occurs under certain condition. Finally, the vibration isolation property is predicted based on energy transmissibility (ET) in different cases.     

Direct observation of plasticity and quantitative hardness measurements in single crystal cyclotrimethylene trinitramine by nanoindentation

Investigation of deformation beginning with elasticity and continuing through the elastic–plastic transition to incipient cracking has been conducted for (210), (021) and (001) oriented single crystals of the explosive cyclotrimethylene trinitramine, commonly known as “RDX”. Nanoindentation was performed with a conical tip over a range of loads. The resulting load–depth data exhibited distinct, reproducible, orientation-dependent load excursions demonstrating elastic–plastic transitions. Indent impressions were imaged by atomic force microscopy revealing deformation features consistent with slip on six planes. Impressions on the (210) and (001) planes showed deformation pile-up features associated with the zone axes of slip planes. Slip traces were evident on the (210) plane indicating slip on four planes and suggesting cross-slip. Height data, for impressions formed by progressively increasing loads, indicated one additional slip system consistent with (010) slip. All of the orientations exhibited cracking thresholds at very low loads. The reduced elastic moduli were anisotropic and the hardness values were isotropic indicating limited plasticity. Maximum shear stresses estimated from a Hertzian model, at load excursions, were within 1/15 to 1/10 of published shear moduli, indicating deformation initiated near the theoretical yield strength, presumably by homogeneous nucleation of dislocations. The material strength parameters and deformation pathways inferred from this work are compared to previous microhardness investigations in which the ambiguity of results can be attributed to the effects of cracking and simultaneous slip on multiple systems. A mechanistic explanation for the hindered plasticity, and cracking, observed for RDX is offered in terms of compatibility conditions.     

Structure-property relations and thermodynamic properties of monoclinic petalite, LiAlSi(4)O(10)

Structure-property relations of monoclinic petalite, LiAlSi(4)O(10), were determined by experiment and atomistic modeling based on density functional theory. The elastic stiffness coefficients were measured between room temperature and 570?K using a combination of the plate-resonance technique and resonant ultrasound spectroscopy. The thermal expansion was studied between 100 and 740?K by means of dilatometry. The heat capacity between 2 and 398?K has been obtained by microcalorimetry using a quasi-adiabatic calorimeter. The experimentally determined elastic stiffness coefficients were employed to benchmark the results of density functional theory based model calculations. The values in the two data sets agreed to within a few GPa and the anisotropy was very well reproduced. The atomistic model was then employed to predict electric field gradients, the lattice dynamics and thermodynamic properties. The theoretical charge density was analyzed to investigate the bonding between atoms.     

Study of phase transformation and elastic properties of ThX (X = N,P, As and Sb) under high-pressure

An improved interaction potential model (IIPM) has been formulated to theoretically predict the pressure induced phase transition, elastic properties and thermophysical properties of thorium monopnictides (ThX; X = N, P, As and Sb). The phase transition pressures and volume drop obtained from this model show a better agreement with the available experimental than theoretical results. We have achieved elastic moduli, anisotropy factor, Poisson's ratio, Kleinman parameter, shear and stiffness constants on the basis of the calculated elastic constants. To know the anharmonic properties, we have also computed the third-order elastic constants, first-order pressure derivatives of second-order elastic constants and thermophysical quantities. Our results are in reasonable agreement with available measured and others reported data which supports the validity of model.     

Local effective polarization and absorption potentials from cross-sections for e-atom scattering

A possibility of obtaining local, effective, energy-dependent polarization and absorption potentials from experimental cross-sections for electron scattering is investigated. Potentials have been fitted with the help of the genetic algorithm on large sets of experimental data for e-He, e-Ne and e-Ar elastic scattering at impact energies 20-3000 eV. The obtained potentials reproduce the cross-sections within experimental errors.     

固态二氧化碳电子结构及性能的理论研究

采用基于赝势平面波理论的第一性原理计算方法,研究了9种结构的固态二氧化碳的结构和性质.经过结构的几何优化,得到α石英稳定结构晶格常数与他人的计算值基本一致.通过对平衡态能量的分析,我们得出β方石英(cristobalite)结构是能量最低的结构.这与文献的研究结果一致.对弹性性质的计算结果表明,除了超石英(stishovite)和立方黄铁矿(cubic-pyrite)结构之外,其他的结构都是弹性稳定的.利用基于Mulliken轨道重叠布居数的共价固体本征硬度计算方法,预测了各个结构的本征硬度值.结果表明, 关键词： 第一性原理计算 固态二氧化碳 电子结构 硬度