蒙脱石是一种粘土矿物,为了解决软岩隧道工程中经常遇到的软岩中的蒙脱石吸水导致软岩隧道大变形的工程安全问题,需从微观的角度研究蒙脱石的物理和化学性质.使用基于密度泛函理论(DFT)的局域密度近似(LDA)方法来研究蒙脱石的原子和电...蒙脱石是一种粘土矿物,为了解决软岩隧道工程中经常遇到的软岩中的蒙脱石吸水导致软岩隧道大变形的工程安全问题,需从微观的角度研究蒙脱石的物理和化学性质.使用基于密度泛函理论(DFT)的局域密度近似(LDA)方法来研究蒙脱石的原子和电子结构.计算结果表明:Al-O的键长比Si-O的键长长,蒙脱石的价带顶(VBM)和导带底(CBM)都位于Γ点,禁带宽度为5.35 e V.研究表明:蒙脱石中阳离子和氧阴离子之间的化学键主要是离子键,同时也有少量的共价键,蒙脱石的价带顶(VBM)和导带底(CBM)分别由氧2p态和金属阳离子态组成.该计算结果有利于了解蒙脱石的化学和物理性质,对解决软岩隧道大变形的问题提供理论指导.展开更多
In the past fifteen years, the attention of ship safety treatment as an objective rather than a constraint has started to sweep through the whole maritime industry. The risk-based ship design （RBD） methodology, advo...In the past fifteen years, the attention of ship safety treatment as an objective rather than a constraint has started to sweep through the whole maritime industry. The risk-based ship design （RBD） methodology, advocating systematic integration of risk assessment within the conventional design process has started to takeoff. Despite this wide recognition and increasing popularity, important factors that could potentially undermine the quality of the results come from both quantitative and qualitative aspects during the risk assessment process. This paper details a promising solution by developing a formalized methodology for risk assessment through effective storing and processing of historical data combined with data generated through first-principle approaches. This method should help to generate appropriate risk models in the selected platform （Bayesian networks） which can be employed for decision making at design stare.展开更多
基金supported by the National Natural Science Foundation of China(20902056)Innovation Foundation of Shanghai University,China(A.10-0101-08-423)Leading Academic Discipline Project of Shanghai Municipal Education Commission,China(J50101)~~
文摘蒙脱石是一种粘土矿物,为了解决软岩隧道工程中经常遇到的软岩中的蒙脱石吸水导致软岩隧道大变形的工程安全问题,需从微观的角度研究蒙脱石的物理和化学性质.使用基于密度泛函理论(DFT)的局域密度近似(LDA)方法来研究蒙脱石的原子和电子结构.计算结果表明:Al-O的键长比Si-O的键长长,蒙脱石的价带顶(VBM)和导带底(CBM)都位于Γ点,禁带宽度为5.35 e V.研究表明:蒙脱石中阳离子和氧阴离子之间的化学键主要是离子键,同时也有少量的共价键,蒙脱石的价带顶(VBM)和导带底(CBM)分别由氧2p态和金属阳离子态组成.该计算结果有利于了解蒙脱石的化学和物理性质,对解决软岩隧道大变形的问题提供理论指导.
基金Supported by State Key Program for Basic Research of China(2013 CB632705,2011 CB922004)National Natural Science Foundation of China(11334008,61290301)Fund of Shanghai Science and Technology Foundation(13 JC1408800)
基金the financial support received by the University of Strathclyde in the form of a postgraduate research scholarship for the duration of the second author’s P hD studies
文摘In the past fifteen years, the attention of ship safety treatment as an objective rather than a constraint has started to sweep through the whole maritime industry. The risk-based ship design （RBD） methodology, advocating systematic integration of risk assessment within the conventional design process has started to takeoff. Despite this wide recognition and increasing popularity, important factors that could potentially undermine the quality of the results come from both quantitative and qualitative aspects during the risk assessment process. This paper details a promising solution by developing a formalized methodology for risk assessment through effective storing and processing of historical data combined with data generated through first-principle approaches. This method should help to generate appropriate risk models in the selected platform （Bayesian networks） which can be employed for decision making at design stare.
