A new metal-organic framework（MOF） based on metal clusters as secondary building units（SBU）,has been synthesized and structurally characterized.The reported MOF presents an interesting 8-connected self-penetrating...A new metal-organic framework（MOF） based on metal clusters as secondary building units（SBU）,has been synthesized and structurally characterized.The reported MOF presents an interesting 8-connected self-penetrating coordination network based on dinuclear cadmium cluster with a 4^（24）·5·6~3 topology. Moreover,the thermal stability and luminescence property of this compound have been investigated.展开更多
Recent earthquakes in Pakistan （Kashmir 2005, Balochistan 2008, and Balochistan 2013） revealed the vulnerability of existing building stock and the deficiencies in the then prevalent Pakistan Seismic Code （PSC-86 ...Recent earthquakes in Pakistan （Kashmir 2005, Balochistan 2008, and Balochistan 2013） revealed the vulnerability of existing building stock and the deficiencies in the then prevalent Pakistan Seismic Code （PSC-86 （1986））. This study investigates, through an analytical framework, the seismic vulnerability of these and other such buildings, in accordance with the newly developed Building Code of Pakistan - Seismic Provisions 2007 （BCP-SP 07）. Detailed failure mode is presented for buildings designed as per the new code. Collapse of structures is predicted for only 8% increase in PGA after moderate damage. A previously developed method, based on Eurocode-8 （2004）, is used as baseline. A deficient reinforced concrete frame, typical to local building practices, is analyzed and assessed for vulnerability using the BCP- SP 07 （2007） framework. A comparison is drawn for the same building, based on Eurocode- 8 （2004）. Derived vulnerability curves show that the previous framework overestimated the damage and hence the vulnerability. Comparison of vulnerability parameters with previous studies show slight difference in performance of buildings.展开更多
We introduce the concept of Canonical Workflow Building Blocks(CWBB),a methodology of describing and wrapping computational tools,in order for them to be utilised in a reproducible manner from multiple workflow langua...We introduce the concept of Canonical Workflow Building Blocks(CWBB),a methodology of describing and wrapping computational tools,in order for them to be utilised in a reproducible manner from multiple workflow languages and execution platforms.The concept is implemented and demonstrated with the BioExcel Building Blocks library(BioBB),a collection of tool wrappers in the field of computational biomolecular simulation.Interoperability across different workflow languages is showcased through a protein Molecular Dynamics setup transversal workflow,built using this library and run with 5 different Workflow Manager Systems(WfMS).We argue such practice is a necessary requirement for FAIR Computational Workflows and an element of Canonical Workflow Frameworks for Research(CWFR)in order to improve widespread adoption and reuse of computational methods across workflow language barriers.展开更多
基金supported by the National Science Foundation of China(No.51073079)the Natural Science Fund of Tianjin,China (No.10JCZDJC22100)the Fundamental Research Funds for the Central Universities
文摘A new metal-organic framework（MOF） based on metal clusters as secondary building units（SBU）,has been synthesized and structurally characterized.The reported MOF presents an interesting 8-connected self-penetrating coordination network based on dinuclear cadmium cluster with a 4^（24）·5·6~3 topology. Moreover,the thermal stability and luminescence property of this compound have been investigated.
文摘Recent earthquakes in Pakistan （Kashmir 2005, Balochistan 2008, and Balochistan 2013） revealed the vulnerability of existing building stock and the deficiencies in the then prevalent Pakistan Seismic Code （PSC-86 （1986））. This study investigates, through an analytical framework, the seismic vulnerability of these and other such buildings, in accordance with the newly developed Building Code of Pakistan - Seismic Provisions 2007 （BCP-SP 07）. Detailed failure mode is presented for buildings designed as per the new code. Collapse of structures is predicted for only 8% increase in PGA after moderate damage. A previously developed method, based on Eurocode-8 （2004）, is used as baseline. A deficient reinforced concrete frame, typical to local building practices, is analyzed and assessed for vulnerability using the BCP- SP 07 （2007） framework. A comparison is drawn for the same building, based on Eurocode- 8 （2004）. Derived vulnerability curves show that the previous framework overestimated the damage and hence the vulnerability. Comparison of vulnerability parameters with previous studies show slight difference in performance of buildings.
基金a project funded by the European Union contracts H2020-INFRAEDI-02-2018823830,and H2020-EINFRA-2015-1675728funded through EOSC-Life(https://www.eosc-life.eu)contract H2020-INFRAEOSC-2018-2824087ELIXIR-CONVERGE(https://elixir-europe.org)contract H2020-INFRADEV-2019-2871075.
文摘We introduce the concept of Canonical Workflow Building Blocks(CWBB),a methodology of describing and wrapping computational tools,in order for them to be utilised in a reproducible manner from multiple workflow languages and execution platforms.The concept is implemented and demonstrated with the BioExcel Building Blocks library(BioBB),a collection of tool wrappers in the field of computational biomolecular simulation.Interoperability across different workflow languages is showcased through a protein Molecular Dynamics setup transversal workflow,built using this library and run with 5 different Workflow Manager Systems(WfMS).We argue such practice is a necessary requirement for FAIR Computational Workflows and an element of Canonical Workflow Frameworks for Research(CWFR)in order to improve widespread adoption and reuse of computational methods across workflow language barriers.
