Lattice structures with excellent physical properties have attracted great research interest.In this paper,a novel volume parametric modeling method based on the skeleton model is proposed for the construction of thre...Lattice structures with excellent physical properties have attracted great research interest.In this paper,a novel volume parametric modeling method based on the skeleton model is proposed for the construction of threedimensional lattice structures.The skeleton model is divided into three types of nodes.And the corresponding algorithms are utilized to construct diverse types of volume parametric nodes.The unit-cell is assembled with distinct nodes according to the geometric features.The final lattice structure is created by the periodic arrangement of unit-cells.Several different types of volume parametric lattice structures are constructed to prove the stability and applicability of the proposed method.The quality is assessed in terms of the value of the Jacobian matrix.Moreover,the volume parametric lattice structures are tested with the isogeometric analysis to verify the feasibility of integration of modeling and simulation.展开更多
Surface thiolates play important roles in evincing the structures and properties of thiolated metal nanoclusters—one type of recently emerging inorganic-organic hybrids,and thus the thiolate substitution,especially s...Surface thiolates play important roles in evincing the structures and properties of thiolated metal nanoclusters—one type of recently emerging inorganic-organic hybrids,and thus the thiolate substitution,especially single thiolate substitution,is highly desirable for subtly tailoring the structures and properties of metal nanoclusters.However,such a single-thiolate substituting is challenging,and its influence on the metal-metal and metal-sulfur bonds remains mysterious due to the absence of the singlethiolate-substituted structure.Here,we developed a combined method,concurrently synthesized the single-thiolate-substituted nanocluster and its parent nanocluster,and successfully resolved their structures by single crystal X-ray crystallography,which reveals that the single thiolate substitute has an obvious influence on the metal-metal and metal-sulfur bond lengths although it has no effect on the absorption profile.Interestingly,the metal-metal and metal-sulfur bonds show various thermal extensibility and even the negative thermal expansion phenomena of the Au–S bond were observed in the single-thiolate-substituted nanocluster.The bond length-related stability was also observed.Overall,this study highlights a novel synthesis method and offers novel structural insights and an in-depth structure-property correlation of thiolated metal nanoclusters.展开更多
基金supported by the National Nature Science Foundation of China under Grant No.52075340.
文摘Lattice structures with excellent physical properties have attracted great research interest.In this paper,a novel volume parametric modeling method based on the skeleton model is proposed for the construction of threedimensional lattice structures.The skeleton model is divided into three types of nodes.And the corresponding algorithms are utilized to construct diverse types of volume parametric nodes.The unit-cell is assembled with distinct nodes according to the geometric features.The final lattice structure is created by the periodic arrangement of unit-cells.Several different types of volume parametric lattice structures are constructed to prove the stability and applicability of the proposed method.The quality is assessed in terms of the value of the Jacobian matrix.Moreover,the volume parametric lattice structures are tested with the isogeometric analysis to verify the feasibility of integration of modeling and simulation.
基金supported by the National Natural Science Foundation of China (21925303,21829501,21771186,22171268,22171267,21971246)the Anhui Provincial Natural Science Foundation(2108085MB56)+1 种基金the HFIPS Director’s Fund (BJPY2019A02,YZJJ202102,YZJJ202306-TS)the Collaborative Innovation Program of Hefei Science Center,Chinese Academy of Sciences (2020HSC-CIP005,2022HSCCIP018)。
文摘Surface thiolates play important roles in evincing the structures and properties of thiolated metal nanoclusters—one type of recently emerging inorganic-organic hybrids,and thus the thiolate substitution,especially single thiolate substitution,is highly desirable for subtly tailoring the structures and properties of metal nanoclusters.However,such a single-thiolate substituting is challenging,and its influence on the metal-metal and metal-sulfur bonds remains mysterious due to the absence of the singlethiolate-substituted structure.Here,we developed a combined method,concurrently synthesized the single-thiolate-substituted nanocluster and its parent nanocluster,and successfully resolved their structures by single crystal X-ray crystallography,which reveals that the single thiolate substitute has an obvious influence on the metal-metal and metal-sulfur bond lengths although it has no effect on the absorption profile.Interestingly,the metal-metal and metal-sulfur bonds show various thermal extensibility and even the negative thermal expansion phenomena of the Au–S bond were observed in the single-thiolate-substituted nanocluster.The bond length-related stability was also observed.Overall,this study highlights a novel synthesis method and offers novel structural insights and an in-depth structure-property correlation of thiolated metal nanoclusters.
