Atomistic simulation of the structure and elastic properties of pyrite (FeS2) as a function of pressure

Interatomic potential parameters have been derived at simulated temperatures of 0 K and 300 K to model pyrite FeS₂. The predicted pyrite structures are within 1% of those determined experimentally, while the calculated bulk modulus is within 7%. The model is also able to simulate the properties of marcasite, even though no data for this phase were included in the fitting procedure. There is almost no difference in results obtained for pyrite using the two potential sets; however, when used to model FeS₂ marcasite, the potential fitted at 0 K performs better. The potentials have also been used to study the high-pressure behaviour of pyrite up to 44 GPa. The calculated equation of state gives good agreement with experiment and shows that the Fe–S bonds shorten more rapidly that the S–S dimer bonds. The behaviour of marcasite at high pressure is found to be similar to that of pyrite.     

Large-Eddy Simulation of Turbulent Flow Over a Rough Surface

A family of wall models is proposed that exhibits moresatisfactory performance than previousmodels for the large-eddy simulation (LES) of the turbulentboundary layer over a rough surface.The time and horizontally averaged statistics such asmean vertical profiles of windvelocity, Reynolds stress, turbulent intensities, turbulentkinetic energy and alsospectra are compared with wind-tunnel experimental data.The purpose of the present study is to obtain simulatedturbulent flows that are comparable with wind-tunnelmeasurements for use as the wind environment for thenumerical prediction by LES of source dispersion in theneutral atmospheric boundary layer.     

Simulation of oasis breeze circulation in the arid region of the Northwestern China

In this paper, the process of oasis-desert circulation (ODC) is simulated by MM5V3.5 model through designing an ideal oasis-desert scheme and assuming that initial atmosphere is at rest (V = 0). The findings showed that the key of forming special oasis boundary structure is the difference of energy and water between oasis and desert. The evaporation of oasis surface consumes heat energy, and the low temperature of oasis causes an oasis breeze circulation (OBC), which drives an ODC with a downdraft over the oasis and an updraft over the desert. Later, the cold, dry and stable boundary over oasis is gradually formed, on the contrary,the atmospheric boundary over desert on the edge of oasis is hot, humid and unstable and its height is about 600 hPa. The updraft over the desert forms a wet ring that acts as a vertical wall weakening the low-level moisture exchange between the oasis and desert. The downdraft of OBC increases the atmospheric stability that reduces the oasis evaporation. The low-level outflow from the oasis (into the desert) prevents the dry, hot air flowing from the desert into the oasis.Thus an oasis self-preservation mechanism may be formed due to OBC. The horizontal area influenced by oasis is twice as oasis area and the vertical range is four times as oasis. The ODC is strong in the daytime and reaches the strongest at 17:00, and the influenced area is the largest at 20:00.     

Field vibration mitigation by honeycomb WIB for pile foundations of a high-speed train viaduct

Environmental vibrations from recent high-speed trains are becoming a special concern in the civil and environmental engineering field since they can give detrimental effects to residents, sensitive equipments and high-tech production facilities in the vicinity of train tacks. Herein, aiming at the vibration mitigation for a specific high-tech industrial area, the low-frequency vibrations from a train viaduct are targeted over an anticipated range. A theoretically designed innovative countermeasure, called honeycomb wave impeding barrier (WIB) for a wave impeding barrier, is introduced and its effects are investigated by computer simulation. The present WIB is based on the wave dispersion phenomenon that can modulate the incoming wavelengths into the shorter wavelengths, creating an apparent wave cut-off characteristic in the wave field across WIB installation area. The shorter wavelengths are further impeded due to the impedance ratio of the WIB walls and in-fill materials and absorbed by the in-fills more. The three-dimensional FEM simulation demonstrates a dramatic reduction effect that is difficult to achieve by conventional measures.     

遥感影像三维可视化研究

利用DEM高程资料实现遥感影像的三维显示可大大提高遥感监测产品的使用价值，而商用软件成本高操作繁琐普及困难。利用计算机图形学知识和Delphi编程语言，开发了一套遥感影像三维可视化软件。对在开发过程中遇到的有关DEM数据的裁剪与拼接、图像配准、地表模拟、透视变换、消隐处理、光照和阴影效果以及颜色变换等问题的解决方案和实现方法作了简要的介绍。     

昌马水库右岸山体稳定性研究

昌马水库导流排砂洞塌方导致右岸山体发生松动 ,本文在大量地质资料的基础上 ,对右岸岩体裂隙网络进行模拟 ,同时 ,采用极限分析能量法和有限元数值模拟方法等对右岸山体的稳定性进行分析研究 ,并提出相应的加固方案。     

Indicator Simulation Accounting for Multiple-Point Statistics

Geostatistical simulation aims at reproducing the variability of the real underlying phenomena. When nonlinear features or large-range connectivity is present, the traditional variogram-based simulation approaches do not provide good reproduction of those features. Connectivity of high and low values is often critical for grades in a mineral deposit. Multiple-point statistics can help to characterize these features. The use of multiple-point statistics in geostatistical simulation was proposed more than 10 years ago, on the basis of the use of training images to extract the statistics. This paper proposes the use of multiple-point statistics extracted from actual data. A method is developed to simulate continuous variables. The indicator kriging probabilities used in sequential indicator simulation are modified by probabilities extracted from multiple-point configurations. The correction is done under the assumption of conditional independence. The practical implementation of the method is illustrated with data from a porphyry copper mine.     

Effects of spatially structured vegetation patterns on hillslope erosion in a semiarid Mediterranean environment: a simulation study

A general trend of decreasing soil loss rates with increasing vegetation cover fraction is widely accepted. Field observations and experimental work, however, show that the form of the cover‐erosion function can vary considerably, in particular for low cover conditions that prevail on arid and semiarid hillslopes. In this paper the structured spatial distribution of the vegetation cover and associated soil attributes is proposed as one of the possible causes of variation in cover–erosion relationships, in particular in dryland environments where patchy vegetation covers are common. A simulation approach was used to test the hypothesis that hillslope discharge and soil loss could be affected by variation in the spatial correlation structure of coupled vegetation cover and soil patterns alone. The Limburg Soil Erosion Model (LISEM) was parameterized and verified for a small catchment with discontinuous vegetation cover at Rambla Honda, SE Spain. Using the same parameter sets LISEM was subsequently used to simulate water and sediment fluxes on 1 ha hypothetical hillslopes with simulated spatial distributions of vegetation and soil parameters. Storms of constant rainfall intensity in the range of 30–70 mm h^?1 and 10–30 min duration were applied. To quantify the effect of the spatial correlation structure of the vegetation and soil patterns, predicted discharge and soil loss rates from hillslopes with spatially structured distributions of vegetation and soil parameters were compared with those from hillslopes with spatially uniform distributions. The results showed that the spatial organization of bare and vegetated surfaces alone can have a substantial impact on predicted storm discharge and erosion. In general, water and sediment yields from hillslopes with spatially structured distributions of vegetation and soil parameters were greater than from identical hillslopes with spatially uniform distributions. Within a storm the effect of spatially structured vegetation and soil patterns was observed to be highly dynamic, and to depend on rainfall intensity and slope gradient. Copyright © 2005 John Wiley & Sons, Ltd.