银纳米杆高温熔化断裂弛豫性能的原子级模拟研究

采用分子动力学模拟方法,研究了不同长度银纳米杆在不同温度弛豫过程中的结构演变过程.结果表明:银纳米杆存在一与杆长相关的临界熔断温度,该临界熔断温度随杆长增加而显著降低.当温度大于熔点而小于临界熔断温度时,体系形成一个高度无序的球形团簇,而温度大于临界熔断温度时,体系则熔断成两个球形团簇.并给出了银纳米杆的产生该熔断现象的机理.     

基于阈值光电子-光离子符合技术的分子离子光谱和解离动力学研究

对电子和离子同时采用速度聚焦电场收集的阈值光电子-光离子符合成像谱仪能够有效提高电子的收集效率和能量分辨率.利用该符合成像谱仪,开展了Xe/Ar/Ne 惰性混合气体及NO 分子的阈值光电子谱、阈值光电子-光离子符合质谱和质量选择的符合光谱等实验研究,精确测量了NO 分子的电离势,并且获得了NO⁺离子振动态分辨的X¹Σ⁺,c³Π和B¹Π态光谱.还进一步研究了NO^{+ 相似文献}   

原子掺杂对单元材料结晶能力的影响

2009年我们建立了一个凝结势模型用以预测材料形成单晶体的能力,表明单元体材料(Ni,Al,Cu,Ar,Mg)的结晶能力随凝结势的增大而单调增强.本文将凝结势模型应用于二元材料体系,并结合分子动力学模拟研究了6% Al原子掺杂对于Ni单晶材料结晶能力的影响.模拟结果发现,Al元素的掺杂会大大减弱Ni单晶的结晶能力,在此基础上提出了二元材料体系凝结势的定义,表明凝结势模型可广泛应用于预测二元体材料的结晶能力.     

The effects of wastewater discharges on the functioning of a small temporarily open/closed estuary

Wastewater discharges affect the functioning of small temporarily open/closed estuaries (TOCEs) through two main mechanisms: (1) they can significantly change the water balance by altering the quantity of water inflows, and (2) they can significantly change the nutrient balance and hence the water quality. This study investigated the bio-physical responses of a typical, small TOCE on the east coast of South Africa, the Mhlanga Estuary. This estuary receives significant inflows of treated effluent from upstream wastewater treatment works. Water and nutrient budgets were used together with biological sampling to investigate changes in the functioning of the system. The increase in inflows due to the effluent discharges has significantly increased the mouth breaching frequency. Furthermore, when the mouth closes, the accumulation of nutrients leads to eutrophication and algal blooms. A grey water index, namely the proportion of effluent in the estuary and an indicator of the additional nutrient inputs into the estuary, reached high values (?50%) during low flow regimes and when the mouth was closed. In these hyper-eutrophic conditions (DIN and DIP concentrations up to 457 μM and 100 μM respectively), field measurements showed that algal blooms occurred within about 14 days following closure of the mouth (chlorophyll-a concentrations up to 375 mg chl-a m⁻³). Water and nutrient balance simulations for alternative scenarios suggest that further increases in wastewater discharges would result in more frequent breaching events and longer open mouth conditions, but the occurrence of hyper-eutrophic conditions would initially intensify despite more frequent openings. The study indicates how water and nutrient balance simulations can be used in the planning and impact assessment of wastewater treatment facilities.     

扇形沉积体生长的分形几何特征分析

扇形沉积体是我国内陆及沿海地区中、新生代含油气盆地中的重要油气勘探目标,对其平面分布形态和内部结构参数特征的定量表征是油气勘探部门极为关注的问题。随着分形几何理论在沉积学领域应用的日趋广泛,使人们可从新的角度来考虑这一问题的解决方法。扇形沉积体的生长是一个复杂的非线性动力学过程,且具有分形特征。分维数的大小反映了沉积体外部形态和内部结构的复杂程度,分维数的变化幅度预示着构造和沉积背景的某些信息。将分形和混沌理论相结合,也许是实施扇形沉积体非线性动力学建模和模拟的重要途经之一。     

Risk Assessment,Emergency Preparedness and Response to Hazards: The Case of the 1997 Red River Valley Flood,Canada

The prevention and/or mitigation offlood disasters requires continual research, numerouscapital investment decisions, and high-qualitymaintenance and modifications of flood-controlstructures. In addition, institutional and privatepreparedness is needed. The experience offlood-control in North America has shown mixedoutcomes: while flood frequency has declined duringthe last few decades, the economic losses havecontinued to rise. Recent catastrophic floods havealso been linked to major structural interventions inthe region. The flood diversions may cause harmfuleffects upon the floodplain inhabitants by influencingflood levels in areas which are not normallyflood-prone. The increasing vulnerability of thefloodplain inhabitants poses new challenges and raisesquestions concerning the existing risk assessmentmethods, institutional preparedness and responses todisaster-related public emergencies, and local-levelpublic involvement in flood mitigation efforts.In the context of the catastrophic 1997 floods of theRed River Valley, Manitoba, Canada, this researchfocuses on two aspects of flood-related emergencygovernance and management: (i) the functions andeffectiveness of control structures, and (ii) theroles, responsibilities and effectiveness oflegislative and other operational measures. The studyconcludes that the flood-loss mitigation measures,both in terms of effects of control structures andinstitutional interventions for emergency evacuation,were not fully effective for ensuring the well-beingand satisfaction of floodplain inhabitants. Althoughorganizational preparedness and mobilization to copewith the 1997 flood emergency was considerable, theirsuccess during the onset of the flood event waslimited. Lack of communication and understandingbetween institutions, a reluctance to implementup-to-date regulations, and minimal publicparticipation in the emergency decision-making processall contributed to the difficulties experienced byfloodplain inhabitants.     

从成矿构造动力学探讨脉状金矿床成矿深度

在综述国内外与韧性剪切带有关的脉状金矿床成矿动力学的新近研究成果后,根据成矿控矿构造动力学特征及其与成矿流体运移机制、矿物结晶特点的关系认为矿物结晶发生于地震微破裂导致成矿流体压力骤降后的低压力阶段,由矿物包裹体压力并按静岩压力梯度推算的成矿深度要明显小于矿床的实际成矿深度.本文提出一种新的成矿深度估算方法,其估算的成矿深度与目前大多数脉状金矿床中石英具有明显的韧性变形的特点相吻合.     

海南戈枕韧性剪切带微观构造研究

韧性剪切带的定性－定量分析。能更清晰、直接地揭示构造运动生发发展过程应力、应变的状况。作者对海南戈枕韧性剪切带从显微构造角度作了系统研究工作。通过矿物粒度、形态比统计，在纵横方向上更明确了内部的复杂分带性；通过显微批向构造、矿物组权及变形变晶分析了探讨了构造活动的方式、方向；通过古应力值、剪应变、总位移量、弗林系数的测算，定量表述了该带变形机制及应力、应变速率大小。     

高压超高压变质岩抬升—剥露的一种动力学机制分析

综述了高压超高压变质岩带的基本构造特征，认为运用体粘滞性流变学理论可以很好地解释高压超高压变质岩的发育过程及其抬升－剥露动力学机制。     

走滑拉分作用与相山产铀火山盆地的就位

相山火山盆地是我国著名的产铀火山盆地。本文依据相山盆地深部地质研究成果以及大陆动力学理论，探讨了相山产铀火山盆地的就位机制。研究表明，相山火山盆地火山活动划分为两个旋回，其就位受制于区域深断裂的走滑拉分作用。即第一旋回的火山机构就位于NE向深断裂右旋走滑复活产生的EW向拉分构造，形成了东西向展布的裂隙式火山喷溢带；第二旋回的火山机构就位于NE向深断裂左旋走滑复活产生的SN向拉分构造与EW向基底断裂的结点，产生了中心式火山岩浆喷溢侵出。此外，还探讨了富大铀矿的形成机制。