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.     

俯伪斜分段密集采煤法三维有限元数值模拟研究

俯伪斜分段密集采煤法,作为一种较新的采煤方法,在我国技术上还不很成熟,因此,首次针对京煤集团木城涧矿大台井的地质条件和赋煤状况,通过简化建立三维立体有限元模型,模拟计算了该矿煤层顶底板在开采前后运动变化情况。结果表明:煤层倾角、推采距离和开采巷道数三者是影响煤层顶底板运动规律的重要因素,得到了表征顶底板运动规律的顶底板法向最大应力和法向最大位移与三影响因素关系曲线,详细阐述了三影响因素下的煤层顶底板运动规律;同时,对现场开采中支撑压力大小,特别是在三影响因素下,超前支撑压力的作用范围与应力峰值位置进行了数值计算,并总结了其影响规律;最后,指出了该数值分析方法对现场开采将具有十分重要的应用价值和指导意义。     

从118.75 GHz附近六通道亮温反演大气温度廓线的数值模拟研究

为了能在静止气象卫星上实现微波被动遥感探测大气温度廓线,并保持一定的地面空间分辨率(如视场小于60 km),就需要使用高频微波及大天线.欧洲和美国下一代静止气象卫星上都已考虑采用118.75 GHz附近通道.为了充分了解118.75 GHz附近通道遥感反演温度廓线的能力,为仪器研制及今后资料的解释反演提供必要的基础数据,作者开展了采用118.75 GHz附近六个通道遥感反演大气温度廓线的数值模拟研究.统计反演的数值试验表明,118.75 GHz附近六通道对温度垂直分布有一定的遥感反演能力;温度反演较好的层次对应于权重函数峰值所在的位置.     

湖南省2001年夏秋季对流云降水潜力数值模拟结果

应用对流云数值模式模拟了2001年7～9月湖南省三个探空站0000和1200(世界时)462个对流云降水算例.模拟结果表明(1)其中53天的198个算例属于有利人工增雨的天气形势,133个算例的可播度大于零,54个算例的增雨率大于零;(2)7～9月天气形势有利于人工增雨日的算例,对流云平均含水量为575万吨,平均降水效率11.4%;(3)8月降水潜力大于7月,9月降水潜力最小.这表明即使大旱的2001年湖南省夏秋季对流云仍然有一定的增雨潜力.     

中国西部退耕还林(草)和沙漠化土地绿化的区域性气候效应

中国正在实施的西部大开发必将导致较大规模的土地利用和地表覆盖(LULC)变化,其中最重要的两类LULC变化是退耕还林(草)和沙漠化土地绿化工程。利用最新的全球地表特征资料数据库(GLCCD)识别以上两项生态建设工程的实施规模与范围,并以此更新了目前比较流行的区域气候模式的下边界条件,利用修正了的区域气候模式研究上述大规模LULC变化可能对中国区域性气候造成的影响。使用的卫星资源数据库是由美国地质测绘局(USGS)和Nebraska-Lincoln大学牵头,根据NOAA卫星的AVHRR资料、USGS掌握的高分辨率数字化地图,以及生态区划和植被分布等资料组建的。     

团树断层场地地震反应的数值模拟

团树断层场地在多次地震中出现了烈度异常。为了弄清烈度异常的原因，应用显式有限元方法，数值模拟了在脉冲地震波斜入射情形下断层场地的地震反应。结果表明：在基岩山脚附近土层场地地震动放大比基岩山区平均高4倍、比远离基岩山脚土层场地平均高2倍，与历史震害分布有较好的对应。     

Turbulence Statistics Inside and Over Forest: Influence on Footprint Prediction

Observations of wind statistics within and above a Scots pine forest are comparedwith those predicted from an analytical second-order closure model. The roughnesssublayer (RSL) effects, and the influence of stability on similarity functions, arestudied using observations. The commonly accepted forms of similarity functionsdescribe the influence of diabatic effects above the RSL well. According to earlierstudies they are expected also to apply within the RSL. As an exception, the averagewind speed normalised with friction velocity was found to be invariant with stabilityclose to the canopy top under unstable conditions. Lagrangian stochastic trajectorysimulations were used to evaluate the influence of canopy turbulence profiles onfootprint prediction. The main uncertainty was found to arise from parameterisationof the random forcing term in the Lagrangian velocity equation. The influence ofdiabatic conditions was studied, and it was found that thermal stability affectssignificantly the footprint function above the forest canopy, but significantuncertainty exists because of uncertainties in the formulation of stability functions.     

热层风场的理论模拟与分析

通过求解中性大气Navier Stokes动量方程建立了一个时变的三维风场理论模式，利用目前新版的中性大气模式NRLMSISE 00及国际电离层参考模式IRI2000作为输入参数给出热层风场. 基于该模式，计算得到中等太阳活动年磁静日风场的变化形态及其受电场和离子曳力的影响. 同时，将Navier Stokes动量方程作不同形式的简化，并利用简化模式与本文的模式计算结果的对比，分析中性大气Navier Stokes动量方程中黏性项以及非线性项(U·Δ)U的作用. 结果表明，本文所建立伪三维风场模式给出的结果更为合理，而简化模式在某些地区尤其在低纬和赤道区不适用，黏性项及非线性项的作用不可忽略. 本文所建立的风场模式将对研究电离层动力学过程、电离层与热层的耦合过程以及空间天气学研究都有着重要意义.     

Numerical Simulation of Drag Partition over Rough Surfaces

We present a numerical simulation of drag partition over rough surfaces. A computational fluid dynamics model is applied with high resolution to simulatingturbulent flows over arrays of roughness elements positioned on asmooth surface. The skin drag on the surface and the pressure drag on the roughnesselements are computed. The simulated drag partition compares well with wind-tunnelmeasurements and theoretical estimates for similar rough surfaces. This confirms that the computational approach offers an alternative to wind-tunnel and field experiments in studying drag and drag partition. The model is then applied to studying drag partition over rough surfaces with various roughness configurations. It is shown that drag partition depends not only on the magnitude of the roughness frontal area but also on the sizes and arrangement of roughness elements, because (1) the pressure drag coefficient is sensitive to roughness-element dimensions and (2) the arragement of roughness elements lead to different interferences of turbulent wakes. The impact ofthe latter factor is not insignificant.     

The numerical simulation of thesource development of the Tangshan earthquake

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