In the last years, architectural practice has been confronted with a paradigm shift towards the application of digital methods in design activities. In this regard, it is a pedagogic challenge to provide a suitable co...In the last years, architectural practice has been confronted with a paradigm shift towards the application of digital methods in design activities. In this regard, it is a pedagogic challenge to provide a suitable computational background for architectural students, to improve their ability to apply algorithmic-parametric logic, as well as fabrication and prototyping resources to design problem solving. This challenge is even stronger when considering less favored social and technological contexts, such as in Brazil, for example. In this scenario, this article presents and discusses the procedures and the results from a didactic experience carried out in a design computing-oriented discipline, inserted in the curriculum of a Brazilian architecture course. Hence, this paper shares some design computing teaching experiences and presents some results on computational methods and creative approaches, with a view to contribute to a better understanding about the relations between logical thinking, mathematics and architectural design processes.展开更多
To accommodate the diversified emerging use cases in 5G,radio access networks(RAN)is required to be more flexible,open,and versatile.It is evolving towards cloudification,intelligence and openness.By embedding computi...To accommodate the diversified emerging use cases in 5G,radio access networks(RAN)is required to be more flexible,open,and versatile.It is evolving towards cloudification,intelligence and openness.By embedding computing capabilities within RAN,it helps to transform RAN into a natural cost effective radio edge computing platform,offering great opportunity to further enhance RAN agility for diversified services and improve users’quality of experience(Qo E).In this article,a logical architecture enabling deep convergence of communication and computing in RAN is proposed based on O-RAN.The scenarios and potential benefits of sharing RAN computing resources are first analyzed.Then,the requirements,design principles and logical architecture are introduced.Involved key technologies are also discussed,including heterogeneous computing infrastructure,unified computing and communication task modeling,joint communication and computing orchestration and RAN computing data routing.Followed by that,a VR use case is studied to illustrate the superiority of the joint communication and computing optimization.Finally,challenges and future trends are highlighted to provide some insights on the potential future work for researchers in this field.展开更多
Lithium-ion batteries(LIBs)and lithium-sulfur(Li–S)batteries are two types of energy storage systems with significance in both scientific research and commercialization.Nevertheless,the rational design of electrode m...Lithium-ion batteries(LIBs)and lithium-sulfur(Li–S)batteries are two types of energy storage systems with significance in both scientific research and commercialization.Nevertheless,the rational design of electrode materials for overcoming the bottlenecks of LIBs and Li–S batteries(such as low diffusion rates in LIBs and low sulfur utilization in Li–S batteries)remain the greatest challenge,while two-dimensional(2D)electrodes materials provide a solution because of their unique structural and electrochemical properties.In this article,from the perspective of ab-initio simulations,we review the design of 2D electrode materials for LIBs and Li–S batteries.We first propose the theoretical design principles for 2D electrodes,including stability,electronic properties,capacity,and ion diffusion descriptors.Next,classified examples of promising 2D electrodes designed by theoretical simulations are given,covering graphene,phosphorene,MXene,transition metal sulfides,and so on.Finally,common challenges and a future perspective are provided.This review paves the way for rational design of 2D electrode materials for LIBs and Li–S battery applications and may provide a guide for future experiments.展开更多
The use of computer in architectural design shouldn’t sacrifice the pursuit of a human-oriented built environment.The technological applications should be legitimated by the objectives and motivations in multiple dim...The use of computer in architectural design shouldn’t sacrifice the pursuit of a human-oriented built environment.The technological applications should be legitimated by the objectives and motivations in multiple dimensions,but not abuse its generative power against the social and cultural interests.This article is based upon our synthetic computational design research for high density indemnificatory housing in China(Fig.1),which challenges the conventional standard design for large scale social housing in the Industrial Era,and reflects our exploration for innovative,multi-disciplinary,systematic and synthetic design in the new design paradigm of computation.It also promotes to shift the privilege of cutting-edge design techniques and avant-garde concepts from the“High(end)Architecture”to the ordinary architecture during the unprecedented built-environment development in China.Architectural design should have no discrimination between the Olympic stadiums in the capital and the social housing in the subordinate developed cities,as they both need to be innovative and meaningful.The final design research outputs address sustainable transformation initiated by the residents during the whole life span of the housing.We believe that the human factor(including stakeholders,users,designers and builders)is even more important in architectural design,city planning,urban design,landscape and interior design while technology development is accelerating.Conceptualization,imagination and systemization would become significant pacemakers which perpetuate design innovation.展开更多
Stable isotopes have been routinely used in chemical sciences,medical treatment and agricultural research.Conventional technologies to produce high-purity isotopes entail lengthy separation processes that often suffer...Stable isotopes have been routinely used in chemical sciences,medical treatment and agricultural research.Conventional technologies to produce high-purity isotopes entail lengthy separation processes that often suffer from low selectivity and poor energy efficiency.Recent advances in nanoporous materials open up new opportunities for more efficient isotope enrichment and separation as the pore size and local chemical environment of such materials can be engineered with atomic precision.In this work,we demonstrate the unique capability of nanoporous membranes for the separation of stable carbon isotopes by computational screening a materials database consisting of 12,478 computation-ready,experimental metal-organic frameworks(MOFs).Nanoporous materials with the highest selectivity and membrane performance scores have been identified for separation of^(12)CH_4/^(13)CH_4 at the ambient condition(300 K).Analyzing the structural features and metal sites of the promising MOF candidates offers useful insights into membrane design to further improve the performance.An upper limit of the efficiency has been identified for the separation of^(12)CH_4/^(13)CH_4 with the existing MOFs and those variations by replacement of the metal sites.展开更多
Biomanufacturing,which uses renewable resources as raw materials and uses biological processes to produce energy and chemicals,has long been regarded as a production model that replaces the unsustainable fossil econom...Biomanufacturing,which uses renewable resources as raw materials and uses biological processes to produce energy and chemicals,has long been regarded as a production model that replaces the unsustainable fossil economy.The construction of non-natural and efficient biosynthesis routes of chemicals is an important goal of green biomanufacturing.Traditional methods that rely on experience are difficult to support the realization of this goal.However,with the rapid development of information technology,the intelligence of biomanufacturing has brought hope to achieve this goal.Retrobiosynthesis and computational enzyme design,as two of the main technologies in intelligent biomanufacturing,have developed rapidly in recent years and have made great achievements and some representative works have demonstrated the great value that the integration of the two fields may bring.To achieve the final integration of the two fields,it is necessary to examine the information,methods and tools from a bird’s-eye view,and to find a feasible idea and solution for establishing a connection point.For this purpose,this article briefly reviewed the main ideas,methods and tools of the two fields,and put forward views on how to achieve the integration of the two fields.展开更多
Computational design of proteins is a relatively new field, where scientists search the enormous sequence space for sequences that can fold into desired structure and perform desired functions. With the computational ...Computational design of proteins is a relatively new field, where scientists search the enormous sequence space for sequences that can fold into desired structure and perform desired functions. With the computational approach, proteins can be designed, for example, as regulators of biological processes, novel enzymes, or as biotherapeutics. These approaches not only provide valuable information for understanding of sequence-structure-function relations in proteins, but also hold promise for applications to protein engineering and biomedical research. In this review, we briefly introduce the rationale for computational protein design, then summarize the recent progress in this field, including de novo protein design, enzyme design, and design of protein-protein interactions. Challenges and future prospects of this field are also discussed.展开更多
Energy harvesting technologies provide a promising alternative to battery-powered systems and create an opportunity to achieve sustainable computing for the exploitation of ambient energy sources. However, energy harv...Energy harvesting technologies provide a promising alternative to battery-powered systems and create an opportunity to achieve sustainable computing for the exploitation of ambient energy sources. However, energy harvesting devices and power generators encompass a number of non-classical system behaviors or characteristics, such as delivering nondeterministic power density, and these would create hindrance for effectively utilizing the harvested energy. Previously, we have investigated new design methods and tools that are used to enable power adaptive computing and, particularly, catering non-deterministic voltage, which can efficiently utilize ambient energy sources. Also, we developed a co-optimization approach to maximize the computational efficiency from the harvested ambient energy. This paper will provide a review of these methods. Emerging technologies, such as 3D-IC, which would also enable new paradigm of green and high-performance computing, will be also discussed.展开更多
Chinese ice-ray (IR) lattices, known for their intricate and visually fascinating random patterns as decorative elements in traditional 18th-century Chinese window design, exhibit underlying stiffness as latticed wind...Chinese ice-ray (IR) lattices, known for their intricate and visually fascinating random patterns as decorative elements in traditional 18th-century Chinese window design, exhibit underlying stiffness as latticed window fences. Such unique patterns represent a new morphology within the family of stochastic lattices. However, the latent structural potential within the random patterns of ice-ray lattices remains largely unexplored, particularly in the context of lattice shell design. This study systematically studies the geometric qualities of ice-ray lattice patterns and develops an algorithm to model these patterns for ice-ray lattice shell design. Subsequently, it assesses the structural feasibility and effectiveness of these lattice shells in comparison to conventional gridshells. The practicality of constructing random lattice shells using digital fabrication tools is also explored. Employing fractal geometry as a foundational framework, this research not only offers insights into the potential of ice-ray lattices for innovative lattice shell design but also introduces a new structural morphology to the field, expanding the possibilities of incorporating stochastic patterns in lattice shell design. Ultimately, it opens up new opportunities for innovative lattice shell designs, emphasizing the potential of stochastic patterns in structural applications.展开更多
This study is a digital form-finding and manual fabrication experiment in woven architectural design,with one traditional weaving style,Kagome,used to scale the craft up into an architectural-scale bamboo woven artifa...This study is a digital form-finding and manual fabrication experiment in woven architectural design,with one traditional weaving style,Kagome,used to scale the craft up into an architectural-scale bamboo woven artifact.Kagome is a trihexagonal pattern employed in traditional bamboo basketry as a triaxial weaving system,resulting in an object with a self-bracing capacity without the use of fasteners owing to its interlacing lattices.Although existing studies and tools have addressed triaxial weaving design and representation,the current consideration of the advantages of weaving with bamboo is insufficient.To address this research gap,this study develops a computational design method based on studies on bamboo basketry.This allows for the representation and exploration of design geometries using combinations of regular triangular meshes for the fabrication of Kagome woven bamboo artifacts.A full-scale mock-up was fabricated to evaluate the effectiveness of the method.The mock-up demonstrated the self-bracing properties of Kagome,but there were discrepancies between the mock-up and the design.Factors affecting bamboo weaving on an architectural scale have been identified within this study to inform future research on woven bamboo structures.展开更多
The modularity of carbohydrate-active enzymes facilitates that enzymes with different functions have similar fragments.However,because of the complex structure of the enzyme active sites and the epistatic effects of v...The modularity of carbohydrate-active enzymes facilitates that enzymes with different functions have similar fragments.However,because of the complex structure of the enzyme active sites and the epistatic effects of various mutations on enzyme activity,it is difficult to design enzymes with multiple mutation sites using conventional methods.In this study,we designed multi-point mutants by fragment replacement in the donor-acceptor binding pocket of Actinobacillus pleuropneumoniae N-glycosyltransferase(ApNGT)to obtain novel properties.Candidate fragments were selected from a customized glycosyltransferase database.The stability and substrate-binding energy of the three fragment replacement mutants were calculated in comparison with wild-type ApNGT,and mutants with top-ranking stability and middle-ranking substrate-binding energy were chosen for priority experimental verification.We found that a mutant called F13,which increased the glycosylation efficiency of the natural substrate by 1.44 times,the relative conversion of UDP-galactose by 14.2 times,and the relative conversion of UDP-xylose from almost 0 to 78.6%.Most importantly,F13 mutant acquired an entirely new property,the ability to utilize UDP-glucuronic acid.On one hand,this work shows that replacing similar fragments in the donoracceptor binding pocket of the enzyme might provide new ideas for designing mutants with new properties;on the other hand,F13 mutant is expected to play an important role in targeted drug delivery.展开更多
The protein inverse folding problem,designing amino acid sequences that fold into desired protein structures,is a critical challenge in biological sciences.Despite numerous data-driven and knowledge-driven methods,the...The protein inverse folding problem,designing amino acid sequences that fold into desired protein structures,is a critical challenge in biological sciences.Despite numerous data-driven and knowledge-driven methods,there remains a need for a user-friendly toolkit that effectively integrates these approaches for in-silico protein design.In this paper,we present DIProT,an interactive protein design toolkit.DIProT leverages a non-autoregressive deep generative model to solve the inverse folding problem,combined with a protein structure prediction model.This integration allows users to incorporate prior knowledge into the design process,evaluate designs in silico,and form a virtual design loop with human feedback.Our inverse folding model demonstrates competitive performance in terms of effectiveness and efficiency on TS50 and CATH4.2 datasets,with promising sequence recovery and inference time.Case studies further illustrate how DIProT can facilitate user-guided protein design.展开更多
Artificial bone with porous structure is crucial for tissue scaffold and clinic implants.Scaffold provides structure support for cells and guides tissues regeneration for final tissue structure.A computational aided p...Artificial bone with porous structure is crucial for tissue scaffold and clinic implants.Scaffold provides structure support for cells and guides tissues regeneration for final tissue structure.A computational aided process of porous bone modeling was developed which described the design and fabrication of tissue scaffolds by considering intricate architecture,porosity and pore size.To simulate intricate bone structure,different constructive units were presented.In modeling process,bone contour was gotten from computed tomography(CT)images and was divided into two levels.Each level was represented by relatively reconstructive process.Pore size distribution was controlled by using mesh generation.The whole hexahedral mesh was reduced by unit structure,when a 3D mesh with various hexahedral elements was provided.The simulation results show that constructive structure of porous scaffold can meet the needs of clinic implants in accurate and controlled way.展开更多
Burgeoning growth of tall buildings in urban areas around the world is placing new demands on their performance under winds.This involves selection of the building form that minimizes wind loads and structural topolog...Burgeoning growth of tall buildings in urban areas around the world is placing new demands on their performance under winds.This involves selection of the building form that minimizes wind loads and structural topologies that efficiently transfer loads.Current practice is to search for optimal shapes,but this limits buildings with static or fixed form.Aerodynamic shape tailoring that consists of modifying the external form of the building has shown great promise in reducing wind loads and associated structural motions as reflected in the design of Taipei 101 and Burj Khalifa.In these buildings,corner modifications of the cross-section and tapering along the height are introduced.An appealing alternative is to design a building that can adapt its form to the changing complex wind environment in urban areas with clusters of tall buildings,i.e.,by implementing a dynamic facade.To leap beyond the static shape optimization,autonomous dynamic morphing of the building shape is advanced in this study,which is implemented through a cyber–physical system that fuses together sensing,computing,actuating,and engineering informatics.This approach will permit a building to intelligently morph its profile to minimize the source of dynamic wind load excitation,and holds the promise of revolutionizing tall buildings from conventional static to dynamic facades by taking advantage of the burgeoning advances in computational design.展开更多
A novel hydrocyclone with guide vanes, named as axial hydrocyclone(AHC), is designed to tackle the problem of oil–water separation faced by most mature oilfields. Optimal design of the AHC is carried out by using num...A novel hydrocyclone with guide vanes, named as axial hydrocyclone(AHC), is designed to tackle the problem of oil–water separation faced by most mature oilfields. Optimal design of the AHC is carried out by using numerical methods. The effects of guide vanes, cone angle, tapered angle and overflow pipe on the oil–water separation are discussed in this paper. The results show that a double swirling flow is generated in the tapered section where oil–water separation occurs. Both the cylindrical and the tapered section have important influences on AHC performance. On the basis of single factor results, response surface methodology is employed to optimize the AHC design. The experimental results indicate that the novel AHC has an excellent performance for the oil–water separation.展开更多
Timely investigating post-disaster situations to locate survivors and secure hazardous sources is critical,but also very challenging and risky.Despite first responders putting their lives at risk in saving others,huma...Timely investigating post-disaster situations to locate survivors and secure hazardous sources is critical,but also very challenging and risky.Despite first responders putting their lives at risk in saving others,human-physical limits cause delays in response time,resulting in fatality and property damage.In this paper,we proposed and implemented a framework intended for creating collaboration between heterogeneous unmanned vehicles and first responders to make search and rescue operations safer and faster.The framework consists of unmanned aerial vehicles(UAVs),unmanned ground vehicles(UGVs),a cloud-based remote control station(RCS).A light-weight message queuing telemetry transport(MQTT)based communication is adopted for facilitating collaboration between autonomous systems.To effectively work under unfavorable disaster conditions,antenna tracker is developed as a tool to extend network coverage to distant areas,and mobile charging points for the UAVs are also implemented.The proposed framework’s performance is evaluated in terms of end-to-end delay and analyzed using architectural analysis and design language(AADL).Experimental measurements and simulation results show that the adopted communication protocol performs more efficiently than other conventional communication protocols,and the implemented UAV control mechanisms are functioning properly.Several scenarios are implemented to validate the overall effectiveness of the proposed framework and demonstrate possible use cases.展开更多
In particular, a fair amount of the machining time may be spent in rough cutting process when a large portion of the raw material has to be removed. Therefore, an algorithm for generating the toolpath for rough cuttin...In particular, a fair amount of the machining time may be spent in rough cutting process when a large portion of the raw material has to be removed. Therefore, an algorithm for generating the toolpath for rough cutting is suggested in the paper. The algorithm is based on an extended tracing method for plane/surface intersection is proposed for smooth surface. A 2.5D milling or parallel offset machining is to be used to significantly improve producitvity and lead to lower production costs for the sculptured multi surfaces part rough machining..展开更多
This work explores ceramic additive manufacturing in combination with liquid metal infiltration for the production of degradable interpenetrating phase magnesium/hydroxyapatite(Mg/HA) composites. Material extrusion ad...This work explores ceramic additive manufacturing in combination with liquid metal infiltration for the production of degradable interpenetrating phase magnesium/hydroxyapatite(Mg/HA) composites. Material extrusion additive manufacturing was used to produce stoichiometric,and calcium deficient HA preforms with a well-controlled open pore network, allowing the customization of the topological relationship of the composite. Pure Mg and two different Mg alloys were used to infiltrate the preforms by means of an advanced liquid infiltration method inspired by spark plasma sintering, using a novel die design to avoid the structural collapse of the preform. Complete infiltration was achieved in 8 min, including the time for the Mg melting. The short processing time enabled to restrict the decomposition of HA due to the reducing capacity of liquid Mg. The pure Mg-base composites showed compressive yield strength above pure Mg in cast state. Mg alloy-based composites did not show higher strength than the bare alloys due to grain coarsening, but showed similar mechanical properties than other Mg/HA composites that have significantly higher fraction of metallic phase. The composites showed faster degradation rate under simulated body conditions than the bare metallic component due to the formation of galvanic pairs at microstructural level. Mg dissolved preferentially over HA leaving behind a scaffold after a prolonged degradation period. In turn, the fast production of soluble degradation products caused cell metabolic changes after 24 h of culture with not-diluted material extracts. The topological optimization and reduction of the degradation rate are the topics for future research.展开更多
Construction material offcuts is a data problem that can largely be avoided by dimensional coordination during concept design.Besides the environmental benefits,early phase coordination is beneficial to the overall de...Construction material offcuts is a data problem that can largely be avoided by dimensional coordination during concept design.Besides the environmental benefits,early phase coordination is beneficial to the overall design process as it integrates information not typically considered until later in the design process.However,taking reality-changing actions is often challenged by uncertainty,time constraints,and lack of integration of available tools.Acknowledging the potential of computational design in enabling architects to manage design and coordination complexities and taking plasterboard opportunities for dimensional coordination,the paper presents a review and assessment of the existing methods to interrogate what,when,and how are these adaptable to the task.The study shows that ML-based methods outperform other methods and concludes that leveraging computational design powers to reduce offcuts is not a question of a tool,but one of a strategy.Eventually,the future steps to achieving such a strategy are discussed.展开更多
An integration processing system of three-dimensional laser scanning information visualization in goaf was developed. It is provided with multiple functions, such as laser scanning information management for goaf, clo...An integration processing system of three-dimensional laser scanning information visualization in goaf was developed. It is provided with multiple functions, such as laser scanning information management for goaf, cloud data de-noising optimization, construction, display and operation of three-dimensional model, model editing, profile generation, calculation of goaf volume and roof area, Boolean calculation among models and interaction with the third party soft ware. Concerning this system with a concise interface, plentiful data input/output interfaces, it is featured with high integration, simple and convenient operations of applications. According to practice, in addition to being well-adapted, this system is favorably reliable and stable.展开更多
文摘In the last years, architectural practice has been confronted with a paradigm shift towards the application of digital methods in design activities. In this regard, it is a pedagogic challenge to provide a suitable computational background for architectural students, to improve their ability to apply algorithmic-parametric logic, as well as fabrication and prototyping resources to design problem solving. This challenge is even stronger when considering less favored social and technological contexts, such as in Brazil, for example. In this scenario, this article presents and discusses the procedures and the results from a didactic experience carried out in a design computing-oriented discipline, inserted in the curriculum of a Brazilian architecture course. Hence, this paper shares some design computing teaching experiences and presents some results on computational methods and creative approaches, with a view to contribute to a better understanding about the relations between logical thinking, mathematics and architectural design processes.
基金jointly supported by the Beijing University of Posts and Telecommunications-China Mobile Research Institute Joint Innovation Centerthe National Key Research and Development Program of China under Grant 2021YFB2900200the National Natural Science Foundation of China under Grant 62201073 and 61925101。
文摘To accommodate the diversified emerging use cases in 5G,radio access networks(RAN)is required to be more flexible,open,and versatile.It is evolving towards cloudification,intelligence and openness.By embedding computing capabilities within RAN,it helps to transform RAN into a natural cost effective radio edge computing platform,offering great opportunity to further enhance RAN agility for diversified services and improve users’quality of experience(Qo E).In this article,a logical architecture enabling deep convergence of communication and computing in RAN is proposed based on O-RAN.The scenarios and potential benefits of sharing RAN computing resources are first analyzed.Then,the requirements,design principles and logical architecture are introduced.Involved key technologies are also discussed,including heterogeneous computing infrastructure,unified computing and communication task modeling,joint communication and computing orchestration and RAN computing data routing.Followed by that,a VR use case is studied to illustrate the superiority of the joint communication and computing optimization.Finally,challenges and future trends are highlighted to provide some insights on the potential future work for researchers in this field.
基金supported by the Research Grants Council of the Hong Kong Special Administrative Region,China(PolyU152178/20 E)the Hong Kong Polytechnic University(1-W19S)Science and Technology Program of Guangdong Province of China(2020A0505090001).
文摘Lithium-ion batteries(LIBs)and lithium-sulfur(Li–S)batteries are two types of energy storage systems with significance in both scientific research and commercialization.Nevertheless,the rational design of electrode materials for overcoming the bottlenecks of LIBs and Li–S batteries(such as low diffusion rates in LIBs and low sulfur utilization in Li–S batteries)remain the greatest challenge,while two-dimensional(2D)electrodes materials provide a solution because of their unique structural and electrochemical properties.In this article,from the perspective of ab-initio simulations,we review the design of 2D electrode materials for LIBs and Li–S batteries.We first propose the theoretical design principles for 2D electrodes,including stability,electronic properties,capacity,and ion diffusion descriptors.Next,classified examples of promising 2D electrodes designed by theoretical simulations are given,covering graphene,phosphorene,MXene,transition metal sulfides,and so on.Finally,common challenges and a future perspective are provided.This review paves the way for rational design of 2D electrode materials for LIBs and Li–S battery applications and may provide a guide for future experiments.
文摘The use of computer in architectural design shouldn’t sacrifice the pursuit of a human-oriented built environment.The technological applications should be legitimated by the objectives and motivations in multiple dimensions,but not abuse its generative power against the social and cultural interests.This article is based upon our synthetic computational design research for high density indemnificatory housing in China(Fig.1),which challenges the conventional standard design for large scale social housing in the Industrial Era,and reflects our exploration for innovative,multi-disciplinary,systematic and synthetic design in the new design paradigm of computation.It also promotes to shift the privilege of cutting-edge design techniques and avant-garde concepts from the“High(end)Architecture”to the ordinary architecture during the unprecedented built-environment development in China.Architectural design should have no discrimination between the Olympic stadiums in the capital and the social housing in the subordinate developed cities,as they both need to be innovative and meaningful.The final design research outputs address sustainable transformation initiated by the residents during the whole life span of the housing.We believe that the human factor(including stakeholders,users,designers and builders)is even more important in architectural design,city planning,urban design,landscape and interior design while technology development is accelerating.Conceptualization,imagination and systemization would become significant pacemakers which perpetuate design innovation.
基金financially supported by the National Science Foundation Harnessing the Data Revolution Big Idea under Grant No.NSF 1940118supported by the State Key Laboratory of Chemical Engineering(SKL-CHE20)。
文摘Stable isotopes have been routinely used in chemical sciences,medical treatment and agricultural research.Conventional technologies to produce high-purity isotopes entail lengthy separation processes that often suffer from low selectivity and poor energy efficiency.Recent advances in nanoporous materials open up new opportunities for more efficient isotope enrichment and separation as the pore size and local chemical environment of such materials can be engineered with atomic precision.In this work,we demonstrate the unique capability of nanoporous membranes for the separation of stable carbon isotopes by computational screening a materials database consisting of 12,478 computation-ready,experimental metal-organic frameworks(MOFs).Nanoporous materials with the highest selectivity and membrane performance scores have been identified for separation of^(12)CH_4/^(13)CH_4 at the ambient condition(300 K).Analyzing the structural features and metal sites of the promising MOF candidates offers useful insights into membrane design to further improve the performance.An upper limit of the efficiency has been identified for the separation of^(12)CH_4/^(13)CH_4 with the existing MOFs and those variations by replacement of the metal sites.
基金support from the National Nat-ural Science Foundation of China(U1663227,21861132017,21811530003,21878170).
文摘Biomanufacturing,which uses renewable resources as raw materials and uses biological processes to produce energy and chemicals,has long been regarded as a production model that replaces the unsustainable fossil economy.The construction of non-natural and efficient biosynthesis routes of chemicals is an important goal of green biomanufacturing.Traditional methods that rely on experience are difficult to support the realization of this goal.However,with the rapid development of information technology,the intelligence of biomanufacturing has brought hope to achieve this goal.Retrobiosynthesis and computational enzyme design,as two of the main technologies in intelligent biomanufacturing,have developed rapidly in recent years and have made great achievements and some representative works have demonstrated the great value that the integration of the two fields may bring.To achieve the final integration of the two fields,it is necessary to examine the information,methods and tools from a bird’s-eye view,and to find a feasible idea and solution for establishing a connection point.For this purpose,this article briefly reviewed the main ideas,methods and tools of the two fields,and put forward views on how to achieve the integration of the two fields.
基金supported by the National Basic Research Program of China(Grant No.2015CB910300)the National High Technology Research and Development Program of China(Grant No.2012AA020308)the National Natural Science Foundation of China(Grant No.11021463)
文摘Computational design of proteins is a relatively new field, where scientists search the enormous sequence space for sequences that can fold into desired structure and perform desired functions. With the computational approach, proteins can be designed, for example, as regulators of biological processes, novel enzymes, or as biotherapeutics. These approaches not only provide valuable information for understanding of sequence-structure-function relations in proteins, but also hold promise for applications to protein engineering and biomedical research. In this review, we briefly introduce the rationale for computational protein design, then summarize the recent progress in this field, including de novo protein design, enzyme design, and design of protein-protein interactions. Challenges and future prospects of this field are also discussed.
基金supported by the National Natural Science Foundation of China under Grant No. 61176025 and No. 61006027
文摘Energy harvesting technologies provide a promising alternative to battery-powered systems and create an opportunity to achieve sustainable computing for the exploitation of ambient energy sources. However, energy harvesting devices and power generators encompass a number of non-classical system behaviors or characteristics, such as delivering nondeterministic power density, and these would create hindrance for effectively utilizing the harvested energy. Previously, we have investigated new design methods and tools that are used to enable power adaptive computing and, particularly, catering non-deterministic voltage, which can efficiently utilize ambient energy sources. Also, we developed a co-optimization approach to maximize the computational efficiency from the harvested ambient energy. This paper will provide a review of these methods. Emerging technologies, such as 3D-IC, which would also enable new paradigm of green and high-performance computing, will be also discussed.
基金This research was conducted as part of the RDF(Research Development Fund)project(RDF-19-01-28)supported by Xi'an Jiaotong-Liverpool University,China.
文摘Chinese ice-ray (IR) lattices, known for their intricate and visually fascinating random patterns as decorative elements in traditional 18th-century Chinese window design, exhibit underlying stiffness as latticed window fences. Such unique patterns represent a new morphology within the family of stochastic lattices. However, the latent structural potential within the random patterns of ice-ray lattices remains largely unexplored, particularly in the context of lattice shell design. This study systematically studies the geometric qualities of ice-ray lattice patterns and develops an algorithm to model these patterns for ice-ray lattice shell design. Subsequently, it assesses the structural feasibility and effectiveness of these lattice shells in comparison to conventional gridshells. The practicality of constructing random lattice shells using digital fabrication tools is also explored. Employing fractal geometry as a foundational framework, this research not only offers insights into the potential of ice-ray lattices for innovative lattice shell design but also introduces a new structural morphology to the field, expanding the possibilities of incorporating stochastic patterns in lattice shell design. Ultimately, it opens up new opportunities for innovative lattice shell designs, emphasizing the potential of stochastic patterns in structural applications.
基金the Start-up Grant from the School of Architecture at The Chinese University of Hong Kong[ARC]partially by the General Research Fund[RGC Ref.No.CUHK 14617122]from the Hong Kong Research Grants Council.
文摘This study is a digital form-finding and manual fabrication experiment in woven architectural design,with one traditional weaving style,Kagome,used to scale the craft up into an architectural-scale bamboo woven artifact.Kagome is a trihexagonal pattern employed in traditional bamboo basketry as a triaxial weaving system,resulting in an object with a self-bracing capacity without the use of fasteners owing to its interlacing lattices.Although existing studies and tools have addressed triaxial weaving design and representation,the current consideration of the advantages of weaving with bamboo is insufficient.To address this research gap,this study develops a computational design method based on studies on bamboo basketry.This allows for the representation and exploration of design geometries using combinations of regular triangular meshes for the fabrication of Kagome woven bamboo artifacts.A full-scale mock-up was fabricated to evaluate the effectiveness of the method.The mock-up demonstrated the self-bracing properties of Kagome,but there were discrepancies between the mock-up and the design.Factors affecting bamboo weaving on an architectural scale have been identified within this study to inform future research on woven bamboo structures.
基金supported by the National Key R&D Program of China(2022YFA1304103)the National Natural Science Foundation of China(Grant numbers 32070921)+1 种基金the Key Research and Develop Program of Shandong Province(grant number 2020CXGC010601)Taishan industry leading talents project(No.tscy20200221).
文摘The modularity of carbohydrate-active enzymes facilitates that enzymes with different functions have similar fragments.However,because of the complex structure of the enzyme active sites and the epistatic effects of various mutations on enzyme activity,it is difficult to design enzymes with multiple mutation sites using conventional methods.In this study,we designed multi-point mutants by fragment replacement in the donor-acceptor binding pocket of Actinobacillus pleuropneumoniae N-glycosyltransferase(ApNGT)to obtain novel properties.Candidate fragments were selected from a customized glycosyltransferase database.The stability and substrate-binding energy of the three fragment replacement mutants were calculated in comparison with wild-type ApNGT,and mutants with top-ranking stability and middle-ranking substrate-binding energy were chosen for priority experimental verification.We found that a mutant called F13,which increased the glycosylation efficiency of the natural substrate by 1.44 times,the relative conversion of UDP-galactose by 14.2 times,and the relative conversion of UDP-xylose from almost 0 to 78.6%.Most importantly,F13 mutant acquired an entirely new property,the ability to utilize UDP-glucuronic acid.On one hand,this work shows that replacing similar fragments in the donoracceptor binding pocket of the enzyme might provide new ideas for designing mutants with new properties;on the other hand,F13 mutant is expected to play an important role in targeted drug delivery.
基金This work was supported by the National Natural Science Foundation of China(Nos.62250007,62225307,61721003)a grant from the Guoqiang Institute,Tsinghua University(2021GQG1023).
文摘The protein inverse folding problem,designing amino acid sequences that fold into desired protein structures,is a critical challenge in biological sciences.Despite numerous data-driven and knowledge-driven methods,there remains a need for a user-friendly toolkit that effectively integrates these approaches for in-silico protein design.In this paper,we present DIProT,an interactive protein design toolkit.DIProT leverages a non-autoregressive deep generative model to solve the inverse folding problem,combined with a protein structure prediction model.This integration allows users to incorporate prior knowledge into the design process,evaluate designs in silico,and form a virtual design loop with human feedback.Our inverse folding model demonstrates competitive performance in terms of effectiveness and efficiency on TS50 and CATH4.2 datasets,with promising sequence recovery and inference time.Case studies further illustrate how DIProT can facilitate user-guided protein design.
基金Project(2011DFB70230)supported by State International Cooperation Program of ChinaProject(N110403003)supported by Basic Research Foundation of Education Ministry of China
文摘Artificial bone with porous structure is crucial for tissue scaffold and clinic implants.Scaffold provides structure support for cells and guides tissues regeneration for final tissue structure.A computational aided process of porous bone modeling was developed which described the design and fabrication of tissue scaffolds by considering intricate architecture,porosity and pore size.To simulate intricate bone structure,different constructive units were presented.In modeling process,bone contour was gotten from computed tomography(CT)images and was divided into two levels.Each level was represented by relatively reconstructive process.Pore size distribution was controlled by using mesh generation.The whole hexahedral mesh was reduced by unit structure,when a 3D mesh with various hexahedral elements was provided.The simulation results show that constructive structure of porous scaffold can meet the needs of clinic implants in accurate and controlled way.
基金the US National Science Foundation(CMMI-1562244 and CMMI-1612843)。
文摘Burgeoning growth of tall buildings in urban areas around the world is placing new demands on their performance under winds.This involves selection of the building form that minimizes wind loads and structural topologies that efficiently transfer loads.Current practice is to search for optimal shapes,but this limits buildings with static or fixed form.Aerodynamic shape tailoring that consists of modifying the external form of the building has shown great promise in reducing wind loads and associated structural motions as reflected in the design of Taipei 101 and Burj Khalifa.In these buildings,corner modifications of the cross-section and tapering along the height are introduced.An appealing alternative is to design a building that can adapt its form to the changing complex wind environment in urban areas with clusters of tall buildings,i.e.,by implementing a dynamic facade.To leap beyond the static shape optimization,autonomous dynamic morphing of the building shape is advanced in this study,which is implemented through a cyber–physical system that fuses together sensing,computing,actuating,and engineering informatics.This approach will permit a building to intelligently morph its profile to minimize the source of dynamic wind load excitation,and holds the promise of revolutionizing tall buildings from conventional static to dynamic facades by taking advantage of the burgeoning advances in computational design.
基金Supported by the Scientific Research Project of Beijing Municipal Commission of Education(KM201510017008)the National Natural Science Foundation of China(21677018)+1 种基金the State Key Laboratory of Heavy Oil Processing(SKLOP201403002)the Importation and Development of High-Caliber Talents Project of Beijing Municipal Institutions(CIT&TCD20150317)
文摘A novel hydrocyclone with guide vanes, named as axial hydrocyclone(AHC), is designed to tackle the problem of oil–water separation faced by most mature oilfields. Optimal design of the AHC is carried out by using numerical methods. The effects of guide vanes, cone angle, tapered angle and overflow pipe on the oil–water separation are discussed in this paper. The results show that a double swirling flow is generated in the tapered section where oil–water separation occurs. Both the cylindrical and the tapered section have important influences on AHC performance. On the basis of single factor results, response surface methodology is employed to optimize the AHC design. The experimental results indicate that the novel AHC has an excellent performance for the oil–water separation.
基金supported partially by AirForce Research Laboratory,the Office of the Secretary of Defense(OSD)(FA8750-15-2-0116)the National Science Foundation(NSF)(1832110)the National Institute of Aerospace and Langley(C16-2B00-NCAT)。
文摘Timely investigating post-disaster situations to locate survivors and secure hazardous sources is critical,but also very challenging and risky.Despite first responders putting their lives at risk in saving others,human-physical limits cause delays in response time,resulting in fatality and property damage.In this paper,we proposed and implemented a framework intended for creating collaboration between heterogeneous unmanned vehicles and first responders to make search and rescue operations safer and faster.The framework consists of unmanned aerial vehicles(UAVs),unmanned ground vehicles(UGVs),a cloud-based remote control station(RCS).A light-weight message queuing telemetry transport(MQTT)based communication is adopted for facilitating collaboration between autonomous systems.To effectively work under unfavorable disaster conditions,antenna tracker is developed as a tool to extend network coverage to distant areas,and mobile charging points for the UAVs are also implemented.The proposed framework’s performance is evaluated in terms of end-to-end delay and analyzed using architectural analysis and design language(AADL).Experimental measurements and simulation results show that the adopted communication protocol performs more efficiently than other conventional communication protocols,and the implemented UAV control mechanisms are functioning properly.Several scenarios are implemented to validate the overall effectiveness of the proposed framework and demonstrate possible use cases.
文摘In particular, a fair amount of the machining time may be spent in rough cutting process when a large portion of the raw material has to be removed. Therefore, an algorithm for generating the toolpath for rough cutting is suggested in the paper. The algorithm is based on an extended tracing method for plane/surface intersection is proposed for smooth surface. A 2.5D milling or parallel offset machining is to be used to significantly improve producitvity and lead to lower production costs for the sculptured multi surfaces part rough machining..
基金supported by the Czech Science Foundation (grant 19-22662S)Czech Nano Lab project LM2018110 funded by MEYS CR is gratefully acknowledged for the support of the measurements at CEITEC Nano Research Infrastructure+2 种基金MCL acknowledges to Brno Ph.D. Talent scholarship and to the Brno University of Technology Internal Project: CEITEC VUT-J-19-5915SDT acknowledges to CONACYTSNI and SIP-IPN (SAPPI 20220438)LV acknowledges to project no. NU20-08-00150 (MH, Czechia)。
文摘This work explores ceramic additive manufacturing in combination with liquid metal infiltration for the production of degradable interpenetrating phase magnesium/hydroxyapatite(Mg/HA) composites. Material extrusion additive manufacturing was used to produce stoichiometric,and calcium deficient HA preforms with a well-controlled open pore network, allowing the customization of the topological relationship of the composite. Pure Mg and two different Mg alloys were used to infiltrate the preforms by means of an advanced liquid infiltration method inspired by spark plasma sintering, using a novel die design to avoid the structural collapse of the preform. Complete infiltration was achieved in 8 min, including the time for the Mg melting. The short processing time enabled to restrict the decomposition of HA due to the reducing capacity of liquid Mg. The pure Mg-base composites showed compressive yield strength above pure Mg in cast state. Mg alloy-based composites did not show higher strength than the bare alloys due to grain coarsening, but showed similar mechanical properties than other Mg/HA composites that have significantly higher fraction of metallic phase. The composites showed faster degradation rate under simulated body conditions than the bare metallic component due to the formation of galvanic pairs at microstructural level. Mg dissolved preferentially over HA leaving behind a scaffold after a prolonged degradation period. In turn, the fast production of soluble degradation products caused cell metabolic changes after 24 h of culture with not-diluted material extracts. The topological optimization and reduction of the degradation rate are the topics for future research.
文摘Construction material offcuts is a data problem that can largely be avoided by dimensional coordination during concept design.Besides the environmental benefits,early phase coordination is beneficial to the overall design process as it integrates information not typically considered until later in the design process.However,taking reality-changing actions is often challenged by uncertainty,time constraints,and lack of integration of available tools.Acknowledging the potential of computational design in enabling architects to manage design and coordination complexities and taking plasterboard opportunities for dimensional coordination,the paper presents a review and assessment of the existing methods to interrogate what,when,and how are these adaptable to the task.The study shows that ML-based methods outperform other methods and concludes that leveraging computational design powers to reduce offcuts is not a question of a tool,but one of a strategy.Eventually,the future steps to achieving such a strategy are discussed.
基金Project(51274250)supported by the National Natural Science Foundation of ChinaProject(2012BAK09B02-05)supported by the National Key Technology R&D Program during the 12th Five-year Plan of China
文摘An integration processing system of three-dimensional laser scanning information visualization in goaf was developed. It is provided with multiple functions, such as laser scanning information management for goaf, cloud data de-noising optimization, construction, display and operation of three-dimensional model, model editing, profile generation, calculation of goaf volume and roof area, Boolean calculation among models and interaction with the third party soft ware. Concerning this system with a concise interface, plentiful data input/output interfaces, it is featured with high integration, simple and convenient operations of applications. According to practice, in addition to being well-adapted, this system is favorably reliable and stable.