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.     

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.     

山西省大型水库水环境评价

通过对山西省大型水库1983年至1985年及1996年至1998年水质监测资料的分析评价，表明67％的水库水质只要进行简单处理后，即可满足各类用水要求，其余33％污染较重的水库，其污染物质也十分单一。因此山西省大型水库开发利用的前景十分广阔。在此基础上，进一步提出了大型水库水质保护和改善措施。     

宿松茅口阶沉积成岩研究

宿松地区茅口阶为一连续的海退沉积序列，先后发育浅海陆棚相、开阔台地相、颗粒滩相。所经历的成岩作用主要有胶结、重结晶、白云石化、压溶、溶蚀及充填等．本文还对成岩环境进行了讨论。     

茅台酒酿酒高梁的地质环境研究

茅台酒对酿酒高梁有严格要求，适于茅台酒传统酿造工艺的高梁只产于仁怀县的某些地区，主要是受地质环境的控制。仁怀高梁对某些常量和微量元素有着鲜明的选择性，对磷和钼表现出强烈的吸收作用。岩－土剖面元素的迁聚，对磷和铝的供应是确定仁怀高梁品质和产量的关键。侏罗系砂泥岩、二叠系煤系地层的岩－土剖面，元素淋溶微弱，总量丰富，有效态含量高，组合良好，能正常进行岩－土－高梁系统的物质转化与元素迁移，能充分供应高梁生长所需的磷和钼等元素，是茅台酒酿酒高梁的最宜种植区。     

三江盆地七星河区成因地层分析

区内存在５种等时性地层界面，据此将含煤岩系划分为６个成因单元，１０个亚单元。沉积环境经历了５个演化阶段，其中扇三角洲废弃阶段为最有利的聚煤时期。聚煤的有利部位位于废弃的扇三角洲体之上。     

Effects of geology and human activity on the dynamics of salt-water intrusion in three coastal aquifers in southern Spain

 Mathematical modelling of salt-water intrusion processes in three aquifers on the southern coast of Spain (Río Verde, Río Vélez and Castell de Ferro) reveals that, although all three systems are subject to the same climate and seasonal over-exploitation, geological and human factors have very different effects on the dynamics of contamination. In the Río Verde aquifer, the most important influence is the high volume of extractions occurring during the dry season; in Río Vélez, the intrusion is strongly controlled by infiltration of water from the river to the aquifer, and, in the Castell de Ferro system, an intensely karstified carbonate massif lying in contact with both the sea water and the detrital aquifer represents the main entrance point for influx of sea water and subsequent washing of the aquifer. We have undertaken a mathematical simulation of various possible measures to counteract intrusion, according to the specific characteristics of the process in each aquifer. These measures include artificial recharge, use of natural recharge from the river as a hydraulic barrier, and the construction of a low-permeability barrier. Received: 5 December 1995 · Accepted: 12 April 1996     

江南隆起东端伸展构造的识别及其意义

通过对屯溪流塘盆地典型伸展堆叠构造几何学和运动学的解剖，以及对其它几个伸展构造实例的分析，指出伸展构造在江南隆起的存在，它们的形成主要是重力作用的产物，遍及中、新生代。这种特征构造的解剖有助于深化认识江南隆起的构造特点和演化历史。     

Erosion rates of alpine bedrock summit surfaces deduced from in situ Be and Al

We have measured the concentration of in situ produced cosmogenic ¹⁰Be and ²⁶Al from bare bedrock surfaces on summit flats in four western U.S. mountain ranges. The maximum mean bare-bedrock erosion rate from these alpine environments is 7.6 ± 3.9 m My⁻¹. Individual measurements vary between 2 and 19 m My⁻¹. These erosion rates are similar to previous cosmogenic radionuclide (CRN) erosion rates measured in other environments, except for those from extremely arid regions. This indicates that bare bedrock is not weathered into transportable material more rapidly in alpine environments than in other environments, even though frost weathering should be intense in these areas. Our CRN-deduced point measurements of bedrock erosion are slower than typical basin-averaged denudation rates ( 50 m My⁻¹). If our measured CRN erosion rates are accurate indicators of the rate at which summit flats are lowered by erosion, then relief in the mountain ranges examined here is probably increasing.

We develop a model of outcrop erosion to investigate the magnitude of errors associated with applying the steady-state erosion model to episodically eroding outcrops. Our simulations show that interpreting measurements with the steady-state erosion model can yield erosion rates which are either greater or less than the actual long-term mean erosion rate. While errors resulting from episodic erosion are potentially greater than both measurement and production rate errors for single samples, the mean value of many steady-state erosion rate measurements provides a much better estimate of the long-term erosion rate.