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.     

Are catch-up reefs an artefact of coring?

Drill cores through modern coral reefs commonly show a time lag in reef initiation followed by a phase of rapid accretion to sea level from submerged foundations – the so-called ‘catch-up response’. But because of the difficulty of drilling in these environments, core distribution is usually restricted to accessible areas that may not fully represent reef history, especially if the reef initiated in patches or developed with a prograde or retrograde geometry. As a consequence, core data have the potential to give a misleading impression of reef development, particularly with respect to the timing of initiation and response to sea-level rise. Here, we use computer models to simulate keep-up reef development and, from them, quantify variations in the timing of reef initiation and accretion rate using mock cores taken through the completed simulations. The results demonstrate that cores consistently underestimate the timing of reef initiation and overestimate the reef accretion rate so that, statistically, a core through a keep-up reef will most likely produce a catch-up pattern – an initiation lag followed by a phase of rapid accretion to sea level. This implies that catch-up signatures may be an artefact of coring and that keep-up reefs are significantly more common than previous core studies claim.     

Pull-down basin in the central part of Japan due to subduction-induced mantle flow

The driving force for the basin subsiding against isostatic balance in and around Lake Biwa in the Kinki district, Japan is discussed. The lake region is characterized by strong negative Bouguer anomalies, especially by a steep horizontal gradient zone of gravity anomaly running along the western margin of the lake. The large negative anomaly (>50 mgal) cannot be explained by low-density sediments beneath it. A down-warping structure extending to the Moho depth should be taken into account. This conjecture has been strongly supported by a short-period receiver function imaging, which shows a clear offset of about 8 km for the Moho discontinuity under the steep gravity gradient zone.A question arises as to what is the driving force to create such a large down-warping structure. We consider that the subduction of the shallow-dipping slab under the region (Philippine Sea Slab) may cause crustal deformation by dragging the viscous mantle downward. In order to verify this model, we simulated the induced mantle flow due to the subduction of the Philippine Sea Slab and the pressure distribution on the crust–mantle boundary. This numerical experiment showed that the induced flow makes a strong negative pressure zone under the lake region if the slab has a vertical offset along the direction of subduction. This offset of the slab is consistent with plate models deduced from hypocentral distributions and Sp phases of the deep-focus earthquakes.     

新疆某水利枢纽工程软弱结构面抗剪强度参数的试验研究

某水利枢纽工程位于伊犁地区,影响工程的主要问题为坝基岩体软弱结构面和断层的抗滑稳定问题。根据工程实际条件和软弱夹层特性,采取现场断层软弱结构面试验和室内模拟试验相结合,获得软弱夹层的抗剪参数。实践证明,把两种方法结合起来的试验成果可靠,尤其对一些不具备进行现场大型岩体软弱夹层抗剪试验的工程,采用室内中型直剪仪进 行剪切试验具有实用意义。     

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。     

一次与西南低涡相联系的低空急流的数值研究

梅雨期西南低涡的东移发展与长江中下游降水的加强有密切关系,作者采用中尺度模式对一次西南低涡及其伴随低空急流的发展演变进行了数值模拟.模拟结果表明:在长江中下游大巴山地区低空急流先于西南涡东移发展;西南低涡及低空急流的生成发展在开始阶段与中层(400 hPa)的弱辐散密切相关;南风分量在西南低空急流的演变发展过程中起着更为主动的作用;南风分量增大中心位于南风分量中心的前方,促使南风分量中心东移;南风分量的动量方程收支分析表明水平平流项和产生项是促使南风分量变化的主要作用项,水平平流项和垂直平流项大部分相互抵消,科里奥利项的作用不可忽视,而其他项的值较小,在个别阶段和地区行星边界层项的作用在低层也较大.     

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.     

北京一次大风和强降水天气过程形成机理的数值模拟

利用3维强风暴冰雹分档模式(IPA—HBM)对2001年8月23日北京的一次伴有大风、暴雨和冰雹的强对流天气过程进行模拟和分析，并与部分观测资料进行了比较分析。结果表明，该模式对此次强风暴的生命史、降水分布、降雹的大小等要素做了较好的模拟，并能够模拟出伴随强风暴过程所产生的强下沉气流和及地面强风速切变(下去暴流)。从云微物理学角度分析了此次局地性大风的形成原因，认为由高空冰雹粒子的拖曳产生的负浮力作用是促发强下沉气流产生的主要原因，其次是冰雹的融化和雨水蒸发冷却对下沉气流起加速作用，冰雹的拖曳和融化作用对下沉气流具有决定性作用。强风暴所产生的爆发性强下沉气流最终导致了局地大风的形成。     

杭州市化工园区选址的气象环境与评估的数值模拟研究

城市化是国家社会发展的必然趋势，为了在新一轮城市总体规划中能保证杭州市的大气环境质量，优化不同空间尺度的城市规划，协调城市发展与保护环境的关系，本文利用一个三维非静力区域边界层数值模式，对一些典型天气条件下杭州地区的风场和气温的空间分布特征进行模拟分析，并以此为依据，给出选取化工园区的位置的评估意见。模拟结果表明，化工园区的选址宜考虑在杭州市的西南方向。     

南海各月月平均海流场的数值模拟

本文用一个区域三维、自由表面、斜压海洋模式对南海全年各月的三维平均流场进行了数值模拟，模拟得到的环境特征与己有的实测资料十分相近，这表明该模拟结果是可信的，该数值模拟也是成功的。