Quantum and variational monte-carlo interaction potentials for li2 (x1-sigma-g+)

Optimized trial functions are used in quantum Monte Carlo and variational Monte Carlo calculations of the Li₂(X ¹Σ⁺_g) potential curve. The trial functions used are a product of a Slater determinant of molecular orbitals multiplied by correlation functions of electron—nuclear and electron—electron separation. The parameters of the determinant and correlation functions are optimized simultaneously by reducing the deviations of the local energy E_L (E_L  Ψ⁻¹_THΨ_T, where Ψ_T denotes a trial function) over a fixed sample. At the equilibrium separation, the variational Monte Carlo and quantum Monte Carlo methods recover 68% and 98% of the correlation energy, respectively. At other points on the curves, these methods yield similar accuracies.

Plastic stress-strain fields and blunting effects during large deformations

Plastic stress-strain fields of two types of steel specimens loaded to large deformations are studied. Computational results demonstrate that, owing to the fact that the hardening exponent of the material varies as strain enlarges and the blunting of the crack tip, the well known HRR stress field in the plane strain model can only hold for the stage of a small plastic strain. Plastic dilatancy is shown to have substantial effects on strain distributions and blunting. To justify the constitutive equations used for analysis and to check the precision of computations, the load-deflection of a three-point bend beam and the load-elongation of an axisymmetric bar notched by a V-shaped cut were tested and recorded. The computed curves are in good accordance with experimental data.

Crack tip behavior and crack-propagation in ductile materials

Dilatational plastic equations, which can include the effects of ductile damage, are derived based on the equivalency in expressions for dissipated plastic work. Void damage developed internally at the large-strain stage is represented by an effective continuum being strain-softened and plastically dilated. Accumulation of this local damage leads to progressive failure in materials. With regard to this microstructural background, the constitutive parameters included for characterizing material behaviour have the sense of internal variables. They are not able to be determined explicitly by macroscopic testing but rather through computer simulation of experimental curves and data. Application of this constitutive model to mode-I cracking examples demonstrates that a huge strain concentration accompanied by a substantial drop of stress does occur near the crack tip. Eventually, crack propagation is simulated by using finite elements in computations. Two numerical examples show good accordance with experimental data. The whole procedure of study serves as a justification of the constitutive formulation proposed in the text.

Influence of secondary void damage in the matrix material around voids

The mechanism of ductile damage caused by secondary void damage in the matrix around primary voids is studied by large strain, finite element analysis. A cylinder embedding an initially spherical void, a plane stress cell with a circular void and plane strain cell with a cylindrical or a flat void are analysed under different loading conditions. Secondary voids of smaller scale size nucleate in the strain hardening matrix, according to the requirements of some stress/strain criteria. Their growth and coalescence, handled by the empty element technique, demonstrate distinct mechanisms of damage as circumstances change. The macroscopic stress-strain curves are decomposed and illustrated in the form of the deviatoric and the volumetric parts. Concerning the stress response and the void growth prediction, comparisons are made between the present numerical results and those of previous authors. It is shown that loading condition, void growth history and void shape effect incorporated with the interaction between two generations of voids should be accounted for besides the void volume fraction.

A Supply Function Competition Model for the Spanish Wholesale Electricity Market

We model the Spanish wholesale market as a multiplant linear supply function competition model. According to the theory, the larger generators should have supply curves for each plant which are to the left of the supply curves of plants owned by smaller generators. We test this prediction for fuel plants using data from the Spanish Market Operator (OMEL) from May 2001 to December 2003. Our results indicate that the prediction of the model holds.

Mapas batimétricos y parámetros morfométricos de lagos patagónicos de Neuquén, de Río Negro y del Chubut (Argentina)

A limnological and fish survey program was developed on 112 lakes and reservoirs of Argentina during the summers of 1984 to 1987. Bathymetric surveys with a SIMRAD Skipper 411 model echosounder and line and lead were conducted on more than 40 lakes. This report presents bathymetric maps for seventeen lakes and reservoirs situated in Patagonian Andes Region and Patagonian Plateau betweem 38°53'S and 45°30'S. The bathymetric maps for two reservoirs were made from topographic maps before impoundment. Hypsographic and depth-area curves, and some morphometric parameters are presented for twenty one Patagonian lakes. Mean depth ranged from 2.0 to 111 m. The deepest lakes are situated in Patagonian Andes Region. Colhue Huapi Lake on Patagonian Plateau, is very shallow, having a mean depth of 2.0 m and being 810 km. in surface area.

Evaluación del rendimiento pesquero potencial de la República Argentina: III. Edad y crecimiento de peces 1

Age and growth of populations of three fish species from sixteen lakes and reservoirs situated in the Patagonian Andean and the Patagonian Plateau Region (Argentina) were studied. They included two native species, the Patagonian smallmouth perch. (Percichthys trucha) and the Patagonian silverside (Patagonina hatcheri) and the introduced rainbow trout (Oncorhynchus mykiss). For the three species backcalculated lenght at age was obtained from scale readings. Von Bertalanffy growth curves were usually adjusted to data. For the three species, faster growth was related with lake productivity. (Document contains 38 pages.)

制作含水率与采出程度关系理论曲线常犯错误及解决办法

制作含水率与采出程度关系理论曲线常采用相渗曲线法和流管法两种方法.在采用相渗曲线法制作理论曲线时,采用统计回归分析相对渗透率与含水率的关系,导致在低含水饱和度时期含水率偏高,在高含水饱和度时期含水率偏低的问题,解决的方法是直接使用实验数据点计算.将体积波及系数取常数往往会得出"中低含水期开发效果较差,高含水期开发效果较好"的通用结论,解决的方法是分析体积波及系数与井网系统、流度比、渗透率变异系数的关系,建立统计关系式.

Transient Flows in Low Permeability Porous Media with Composite Start-Up Pressure Gradient

A new mathematical model for the transient flow in the composite low permeability is established. It is solved by FEM with different boundary conditions such as infinite, circular closed and constant pressure boundary conditions. The typical curves for transient wellbore pressure have been presented. It is shown that the pressure and pressure derivative curves with composite start-up pressure gradients have different slopes which are depended on the start-up pressure gradients and the mobility radios in different regions. The boundary effects are the same as the normal reservoirs without start-up pressure gradients. The study provides a new tool to analyze the transient pressure test data in the low permeability reservoir.

Influence of Evaporation on Marangoni-Benard Instability

Evaporative convection and instability give rise to both scientific and technological interests. Practically, a number of the industrial applications such as thin-film evaporators, boiling technologies and heat pipes concern with the evaporation process of which through the vapor-liquid interface the heat and mass transfer occur. From a physical viewpoint, one of interesting questions is the mechanisms of convection instability in thin-liquid layers induced by the coupling of evaporation phenomenon and Marangoni effect at the mass exchanged interface. Classical theories, including Rayleigh’s and Pearson’s, have only successfully explained convection in a liquid layer heated from below without evaporation. However these theories are unable to explain the convection in an evaporating thin layer, especially liquid layer is cooled from below. In present paper, a new two-sided model is put forward rather than the one-sided model in previous works. In previous works, the vapor is treated as passive gas and dynamics of vapor has been ignored. In this case, the vapor liquid system can be described by one-sided model. In our two-sided model, the dynamics of vapor should be considered. Linear instability analysis of the Marangoni-Bénard convection in the two-layer system with an evaporation interface is performed. We define a new evaporating Biot number which is different from the Biot number in one-sided model and obtain the curves of critical Marangoni number versus wave number. In our theoretical results, the Biot number and the evaporating velocity play a major role in the stability of the vapor-liquid system.

Numerical Solution for Polymer Transient Flows in a Circle Bounded Composite Formation

A new numerical model for transient flows of polymer solution in a circular bounded composite formation is presented in this paper. Typical curves of the wellbore transient pressure are yielded by FEM. The effects of non-Newtonian power-law index, mobility and boundary distance have been considered. It is found that for the mobility ratio larger than 1, which is favorable for the polymer flooding, the pressure derivative curve in log-log form rises up without any hollow. On the other hand, if the pressure derivative curve has a hollow and then is raised up, we say that the polymer flooding fails. Finally, the new model has been extended to more complicated boundary case.

Deformation Twinning in Nanocrystalline NI

Deformation twinning is observed upon large plastic deformation in nanocrystalline (nc) Ni by transmission electron microscopy examinations. New and compelling evidence has been obtained for several twinning mechanisms that operate in nc grains, with the gain boundary emission of partial dislocations determined as the most proficient. Deformation twinning in nc Ni is discussed in comparison with molecular dynamics simulation results, based on generalized planar fault energy curves.

Experimental investigation of Very-High-Cycle Fatigue behavior for a structural steel

Very-High-Cycle Fatigue (VHCF) test for a medium carbon structural steel (40Cr) has been performed and a stepwise S-N curve was obtained by employing cantilever-type rotary bending fatigue machine with hourglass shape specimen. The S-N curve was well explained as a combination of curves for surface-induced fracture and interior inclusion-induced fracture with fish-eye patterns. The morphology of the fish-eye pattern was illustrated in order to clarify subsurface crack initiation and propagation behavior.

The response of porous Al2O3 probed to nanoindentation

The response of porous Al2O3 to nanoindentation was investigated at microscopic scales (nm-mu m) and under ultra-low loads from 5 to 90 mN with special attention paid to the dependence of the load-depth behaviour to sample porosity. It was found that the load-depth curves manifest local responses typical of the various porous structures investigated. This is particularly clear for the residual deformation after load removal. Similarly, the limited mean pressure of the sample containing small grains and interconnected pores is consistent with its porous structure. By comparison, the samples with larger grain size and various porous structures exhibit higher pressures and smaller residual deformations that can be attributed to the mechanical response of the solid phase. (C) 2007 Elsevier B.V. All rights reserved.

Long-Term Monitoring of Ecological Conditions In Gray’s Reef National Marine Sanctuary: Comparison of soft-bottom benthic assemblages and contaminant levels in sediments and biota in Spring 2000 and 2005

As part of an ongoing program of benthic sampling and related assessments of sediment quality at Gray’s Reef National Marine Sanctuary (GRNMS) off the coast of Georgia, a survey of soft-bottom benthic habitats was conducted in spring 2005 to characterize condition of macroinfaunal assemblages and levels of chemical contaminants in sediments and biota relative to a baseline survey carried out in spring 2000. Distribution and abundance of macrobenthos were related foremost to sediment type (median particle size, % gravel), which in turn varied according to bottom-habitat mesoscale features (e.g., association with live bottom versus flat or rippled sand areas). Overall abundance and diversity of soft-bottom benthic communities were similar between the two years, though dominance patterns and relative abundances of component species were less repeatable. Seasonal summer pulses of a few taxa (e.g., the bivalve Ervilia sp. A) observed in 2000 were not observed in 2005. Concentrations of chemical contaminants in sediments and biota, though detectable in both years, were consistently at low, background levels and no exceedances of sediment probable bioeffect levels or FDA action levels for edible fish or shellfish were observed. Near-bottom dissolved oxygen levels and organic-matter content of sediments also have remained within normal ranges. Highly diverse benthic assemblages were found in both years, supporting the premise that GRNMS serves as an important reservoir of marine biodiversity. A total of 353 taxa (219 identified to species) were collected during the spring 2005 survey. Cumulatively, 588 taxa (371 identified to species) have been recorded in the sanctuary from surveys in 2000, 2001, 2002, and 2005. Species Accumulation Curves indicate that the theoretical maximum should be in excess of 600 species. Results of this study will be of value in advancing strategic science and management goals for GRNMS, including characterization and long-term monitoring of sanctuary resources and processes, as well as supporting evolving interests in ecosystem-based management of the surrounding South Atlantic Bight (SAB) ecosystem. (PDF contains 46 pages)