Two-dimensional nanosheet membranes with responsive nanochannels are appealing for controlled mass transfer/separation,but limited by everchanging thicknesses arising from unstable interfaces.Herein,an interfacially s...Two-dimensional nanosheet membranes with responsive nanochannels are appealing for controlled mass transfer/separation,but limited by everchanging thicknesses arising from unstable interfaces.Herein,an interfacially stable,thermo-responsive nanosheet membrane is assembled from twin-chain stabilized metal-organic framework(MOF)nanosheets,which function via two cyclic amide-bearing polymers,thermo-responsive poly(N-vinyl caprolactam)(PVCL)for adjusting channel size,and non-responsive polyvinylpyrrolidone for supporting constant interlayer distance.Owing to the microporosity of MOF nanosheets and controllable interface wettability,the hybrid membrane demonstrates both superior separation performance and stable thermo-responsiveness.Scattering and correlation spectroscopic analyses further corroborate the respective roles of the two polymers and reveal the microenvironment changes of nanochannels are motivated by the dehydration of PVCL chains.展开更多
A deep neural network model generally consists of different modules that play essential roles in performing a task.The optimal design of a module for use in modeling a physical problem is directly related to the succe...A deep neural network model generally consists of different modules that play essential roles in performing a task.The optimal design of a module for use in modeling a physical problem is directly related to the success of the model.In this work,the effectiveness of a number of special modules,the self-attention mechanism for recognizing the importance of molecular sequence information in a polymer,as well as the big-stride representation and conditional random field for enhancing the network ability to produce desired local configurations,is numerically studied.Network models containing these modules are trained by using the well documented data of the native structures of the HP model and assessed according to their capability in making structural predictions of unseen data.The specific network design of self-attention mechanism adopted here is modified from a similar idea in natural language recognition.The big-stride representation module introduced in this work is shown to drastically improve network's capability to model polymer segments of strong lattice position correlations.展开更多
In this work,we modify the traditi onal Brusselator model to in corporate the intermolecular interactions,based on which a systematic study is performed on the pattern formation mediated by chemical reaction and phase...In this work,we modify the traditi onal Brusselator model to in corporate the intermolecular interactions,based on which a systematic study is performed on the pattern formation mediated by chemical reaction and phase separation.It is found that if the chemical reaction dominates,the pattern formation will be inhibited by the phase separation while if the phase separation dominates,the chemical reaction will preve nt,un der certain conditi ons,the domain size from growing which results in dissipative patter ns other tha n macroscopic phase separations.展开更多
基金support from the National Natural Science Foundation of China(Nos.21991123,51733003,21674025,and 51873035)“Qimingxing”project(No.19QA1400200)of the Shanghai Committee of Science and Technology.
文摘Two-dimensional nanosheet membranes with responsive nanochannels are appealing for controlled mass transfer/separation,but limited by everchanging thicknesses arising from unstable interfaces.Herein,an interfacially stable,thermo-responsive nanosheet membrane is assembled from twin-chain stabilized metal-organic framework(MOF)nanosheets,which function via two cyclic amide-bearing polymers,thermo-responsive poly(N-vinyl caprolactam)(PVCL)for adjusting channel size,and non-responsive polyvinylpyrrolidone for supporting constant interlayer distance.Owing to the microporosity of MOF nanosheets and controllable interface wettability,the hybrid membrane demonstrates both superior separation performance and stable thermo-responsiveness.Scattering and correlation spectroscopic analyses further corroborate the respective roles of the two polymers and reveal the microenvironment changes of nanochannels are motivated by the dehydration of PVCL chains.
基金financially supported by the National Natural Science Foundation of China(Nos.21973018 and 21534002)the Natural Sciences and Engineering Research Council(NSERC)of Canada。
文摘A deep neural network model generally consists of different modules that play essential roles in performing a task.The optimal design of a module for use in modeling a physical problem is directly related to the success of the model.In this work,the effectiveness of a number of special modules,the self-attention mechanism for recognizing the importance of molecular sequence information in a polymer,as well as the big-stride representation and conditional random field for enhancing the network ability to produce desired local configurations,is numerically studied.Network models containing these modules are trained by using the well documented data of the native structures of the HP model and assessed according to their capability in making structural predictions of unseen data.The specific network design of self-attention mechanism adopted here is modified from a similar idea in natural language recognition.The big-stride representation module introduced in this work is shown to drastically improve network's capability to model polymer segments of strong lattice position correlations.
基金by the National Natural Science Foundation of China(Nos.21534002 and 21973018).
文摘In this work,we modify the traditi onal Brusselator model to in corporate the intermolecular interactions,based on which a systematic study is performed on the pattern formation mediated by chemical reaction and phase separation.It is found that if the chemical reaction dominates,the pattern formation will be inhibited by the phase separation while if the phase separation dominates,the chemical reaction will preve nt,un der certain conditi ons,the domain size from growing which results in dissipative patter ns other tha n macroscopic phase separations.
