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| 1 | Prediction of Coke Yield of FCC Unit Using Different Artificial Neural Network Models显示文摘In fluid catalytic cracking(FCC) unit, it is greatly important to control the coke yield, since the increase of coke yield not only leads to the reduction of total liquid yield, but also affects the heat balance and operation of FCC unit. Consequently, it is significant to predict the coke yield accurately. The coke formation and burning reactions are affected by many parameters which influence each other, so it is difficult to establish a prediction model using traditional models. This paper combines the industrial production data and establishes a generalized regression neural network(GRNN) model and a back propagation(BP) neural network model to predict the coke yield respectively. The comparison and analysis results show that the accuracy and stability of the BP neural network prediction results are better than that of the GRNN. Then, the particle swarm optimization to optimize BP neural network(PSO-BP) and genetic algorithm to optimize the BP neural network(GA-BP) were further used to improve the prediction precision. The comparison of these models shows that they can improve the prediction precision. However, considering the accuracy and stability of the prediction results, the GA-BP model is better than PSO-BP model. | Su Xin Wu Yingya Pei Huajian Gao Jinsen Lan Xingying | 2016 | China Petroleum Processing & Petrochemical Technology2016，18，3： | 7 |
| 2 | Two-dimensional model of vesicle adhesion on curved substrates显示文摘我们开发一个泡的二个维的模型当使遭到了到分开力量时,经由远程的分子的相互作用在弄弯的底层上粘住。在泡的力量和排水量之间的关系作为底层形状的功能被调查。在脱的力量排水量关系和最大的力量显著地依赖于底层形状,这被显示出。结果建议有不同尖端形状的探针可以为房间操作被设计。例如,我们证明一个泡能与一个弄弯的尖端用一根探针被拉离开扁平的表面。 | Wendong Shi Xi Qiao Feng Huajian Gao | 2006 | Acta Mechanica Sinica2006，22，6： | 6 |
| 3 | Ferriporphyrin-inspired MOFs as an artificial metalloenzyme for highly sensitive detection of H2O2 and glucose显示文摘Metalloenzymes which employ metal species and organic ligands as central active sites play significant roles in various biological activities.Development of artificial metalloenzymes can help to understand the related physiological mechanism and promote the applications of metalloenzymes in biosynthesis,energy conversion and biosensing.In this work,inspired by the active sites of ferriporphyrin-based metalloenzymes,Fe-MOFs by using ferric as the metal center and a porphyrin analog as the organic liga nd were developed as an artificial metalloenzyme.The Fe-MOFs exhibit high peroxidase-like catalytic activity with excellent long-term stability.Moreover,highly sensitive biosensors were built to detect H2 O2 and glucose based on the Fe-MOFs.Such MOFs-based artificial metalloenzyme offers an efficient strategy for the development of highly stable and efficient metalloenzymes,showing great potential in catalysis,energy transfer,biosensing and medical diagnosis. | Jiajia Chen Huajian Gao Zhihao Li Yingxue Li Quan Yuan | 2020 | Chinese Chemical Letters2020，31，6： | 3 |
| 4 | Remarkable enhancement in failure stress and strain of penta-graphene via chemical functionalization显示文摘 | Yingyan Zhang Qingxiang Pei Zhendong Sha Yongwei Zhang Huajian Gao | 2017 | Nano Research2017，10，11： | 3 |
| 5 | Effects of functionally graded materials on dynamics of molecular bond clusters显示文摘Unlike nonspecific adhesion of conventional hard materials in engineering commonly described by JKR and DMT type models,the molecular adhesion via specific receptor-ligand bonds is stochastic by nature and has the feature that its strength strongly depends on the medium stiffness surrounding the adhesion.In this paper,we demonstrate in a stochastic-elasticity framework that a type of materials with linearly graded elastic modulus can be designed to achieve 'equal load sharing' and enhanced cooperative rebinding among interfacial molecular bonds.Upon modulus gradation,multiple molecular bonds can be elastically decoupled but statistically cooperative.In general,uniform molecular adhesion can be accomplished by two strategies:homogeneous materials with sufficient stiffness higher than a threshold or heterogeneous materials satisfying the criterion on modulus gradation.These results not only provide a theoretical principle for possible applications of functionally graded materials in quantitatively controlling cell-matrix adhesion,but also have general implications on adhesion between soft materials mediated by specific molecular binding. | ZHANG WenLiang QIAN Jin YAO HaiMin CHEN WeiQiu GAO HuaJian | 2012 | Science China(Physics,Mechanics & Astronomy)2012，55，6： | 3 |
| 6 | Molecular dynamics simulation of peeling a DNA molecule on substrate显示文摘Molecular dynamics (MD) simulations are performed to study adhesion and peeling of a short fragment of single strand DNA (ssDNA) molecule from a graphite surface. The critical peel-off force is found to depend on both the peeling angle and the elasticity of ssDNA. For the short ssDNA strand under investigation, we show that the simulation results can be explained by a continuum model of an adhesive elastic band on substrate. The analysis suggests that it is often the peak value, rather than the mean value, of adhesion energy which determines the peeling of a nanoscale material. | Xinghua Shi Yong Kong Yapu Zhao Huajian Gao | 2005 | Acta Mechanica Sinica2005，21，3： | 3 |
| 7 | Size and strain rate effects in tensile strength of penta-twinned Ag nanowires显示文摘Penta-twinned Ag nanowires(pt-AgNWs) have recently attracted much attention due to their interesting mechanical and physical properties. Here we perform largescale atomistic simulations to investigate the influence of sample size and strain rate on the tensile strength of pt-AgNWs. The simulation results show an apparent size effect in that the nanowire strength(defined as the critical stress for dislocation nucleation) increases with decreasing wire diameter. To account for such size effect, a theoretical model involving the interaction between an emerging dislocation and the twin boundary has been developed for the surface nucleation of dislocations. It is shown that the model predictions are in quantitative agreement with the results from atomistic simulations and previous experimental studies in the literatures. The simulations also reveal that nanowire strength is strain-rate dependent, which predicts an activation volume for dislocation nucleation in the range of 1–10b^3,where b is the magnitude of the Burgers vector for a full dislocation. | Xuan Zhang Xiaoyan Li Huajian Gao | 2017 | Acta Mechanica Sinica2017，33，4： | 3 |
| 8 | A new method to constrain shallow crustal S-wave velocities based on direct P-wave amplitudes in receiver functions and its application in northeastern Tibet显示文摘A new method is developed to constrain S-wave velocity structures of the shallow crust based on frequencydependent amplitudes of direct P-waves in P-wave receiver functions(P-RFs). This method involves the following two steps:first, the high-frequency approximate amplitude formula of direct P-waves in P-RFs of individual stations is used to fit the observed amplitude distribution against the ray parameters at different frequencies, and second, the S-wave velocity depth profile beneath each station is constrained according to an empirical correlation between frequency and depth. Unlike traditional inversion techniques, the newly developed method is not dependent on initial velocity models, and the lateral and vertical resolutions of the results are controlled by the interstation distance and the data frequency, respectively. The effectiveness of the method is verified by synthetic tests on various models. The method is then applied to teleseismic P-RF data from a NW-SEtrending linear seismic array extending from the northeastern Tibetan Plateau to the central Sichuan Basin to construct an S-wave velocity image of the shallow crust along the array. The imaged velocity structure is further analysed and compared with the regional geology. In particular, the structural differences of sedimentary basins in the cratonic area of the stable Sichuan Basin and tectonically active belts in northeastern Tibet are investigated. By combining our results with previous observations, the relationship between the surficial geology and deep processes in the study region is also discussed. | Xu WANG Ling CHEN Yuan LING Yifan GAO Jianyong ZHANG Huajian YAO | 2019 | Science China Earth Sciences2019，62，11： | 3 |
| 9 | Natural variations of ZmSRO1d modulate the trade-off between drought resistance and yield by affecting ZmRBOHC-mediated stomatal ROS production in maize显示文摘While crop yields have historically increased,drought resistance has become a major concern in the context of global climate change.The trade-off between crop yield and drought resistance is a common phenomenon;however,the underlying molecular modulators remain undetermined.Through genome-wide association study,we revealed that three non-synonymous variants in a drought-resistant allele of ZmSRO1d-R resulted in plasma membrane localization and enhanced mono-ADP-ribosyltransferase activity of ZmSRO1d toward ZmRBOHC,which increased reactive oxygen species(ROS)levels in guard cells and promoted stomatal closure.ZmSRO1d-R enhanced plant drought resilience and protected grain yields under drought conditions,but it led to yield drag under favorable conditions.In contrast,loss-of-function mutants of ZmRBOHC showed remarkably increased yields under well-watered conditions,whereas they showed compromised drought resistance.Interestingly,by analyzing 189 teosinte accessions,we found that the ZmSRO1d-R allele was present in teosinte but was selected against during maize domestication and modern breeding.Collectively,our work suggests that the allele frequency reduction of ZmSRO1d-R in breeding programs may have compromised maize drought resistance while increased yields.Therefore,introduction of the ZmSRO1d-R allele into modern maize cultivars would contribute to food security under drought stress caused by global climate change. | Huajian Gao Junjun Cui Shengxue Liu Shuhui Wang Yongyan Lian Yunting Bai Tengfei Zhu Haohao Wu Yijie Wang Shiping Yang Xuefeng Li Junhong Zhuang Limei Chen Zhizhong Gong Feng Qin | 2022 | Molecular Plant2022，15，10： | 2 |
| 10 | Numerical simulation of crack growth in an isotropic solid with randomized internal cohesive bonds显示文摘 | Huajian Gao Patrick Klein | 1998 | Journal of the Mechanics and Physics of Solids1998，，2： | 2 |
| 11 | MECHANICS OF CARBON NANOSCROLLS: A REVIEW显示文摘Carbon nanoscrolls (CNSs) belong to the same class of carbon-based nanomaterials as carbon nanotubes but are much less studied in spite of their great potential for applications in nanotechnology and bioengineering.Fundamental description,understanding and regulation of such materials will ultimately lead to a new generation of integrated systems that utilize their unique properties.In this review,we describe some of the recent advances in theoretical investi-gation on structural and dynamical behavior of CNS,as well as relevant simulation techniques.Theoretically it has been found that a stable equilibrium core size of CNS can be uniquely de-termined or tuned from the basal graphene length,the interlayer spacing,the interaction energy between layers of CNS and the bending stiffiness of graphene.Perturbations of the surface energy,which can be controlled by an electric field,will cause a CNS to undergo breathing oscillatory motion as well as translational rolling motion on a substrate.The tunable core size of CNS also enables it to serve potentially as transmembrane water channels in biological systems. | Xinghua Shi Nicola M. Pugno Huajian Gao | 2010 | Acta Mechanica Solida Sinica2010，23，6： | 2 |
| 12 | Transition from source-to stress-controlled plasticity in nanotwinned materials below a softening temperature显示文摘Nanotwinned materials have been widely studied as a promising class of nanostructured materials that exhibit an exceptional combination of high strength,good ductility,large fracture toughness,remarkable fatigue resistance,and creep stability.Recently,an apparent controversy has emerged with respect to how the strength of nanotwinned materials varies as the twin thickness is reduced.While a transition from hardening to softening was observed in nanotwinned Cu when the twin thickness is reduced below a critical value,continuous hardening was reported in nanotwinned ceramics and nanotwinned diamond.Here,by conducting atomistic simulations and developing a theoretical modeling of nanotwinned Pd and Cu systems,we discovered that there exists a softening temperature,below which the material hardens continuously as the twin thickness is reduced(as in nanotwinned ceramics and diamond),while above which the strength first increases and then decreases,exhibiting a maximum strength and a hardening to softening transition at a critical twin thickness(as in nanotwinned Cu).This important phenomenon has been attributed to a transition from source-to stress-controlled plasticity below the softening temperature,and suggests that different hardening behaviors may exist even in the same nanotwinned material depending on the temperature and that at a given temperature,different materials could exhibit different hardening behaviors depending on their softening temperature. | Seyedeh Mohadeseh Taheri Mousavi Haofei Zhou Guijin Zou Huajian Gao | 2019 | npj Computational Materials2019，，1： | 2 |
| 13 | Molecular modulating of cobalt phthalocyanines on aminofunctionalized carbon nanotubes for enhanced electrocatalytic CO_(2)conversion显示文摘Metal porphyrins and metal phthalocyanines(Pc)constitute a promising class of metal molecular catalysts(MMCs)for efficient CO_(2)-to-CO electrocatalytic conversion due to their well-defined molecular structures.How to adjust the local coordination and electronic environment of the metal center and enhance the molecular-level dispersion of the active components remains as great challenges for further improving the performance.Herein,a cobalt(II)Pc(CoPc)-COOH/carbon nanotube(CNT)-NH_(2)hybrid catalyst was rationally designed by clicking the CoPc-COOH molecules onto the surface of CNT-NH_(2)through amidation reaction.This novel hybrid catalyst exhibited the enhanced current density of 22.4 mA/cm2 and CO selectivity of 91%at−0.88 V vs.reversible hydrogen electrode(RHE)in the CO_(2)electroreduction,as compared with CoPc-COOH/CNT and CoPc/CNT samples.The superior activity was ascribed to the charge transfer induced by introduction of-COOH and-NH_(2)functional groups to CoPc and CNT,respectively,facilitating the active centers of CoI being generated at lower potentials,and leading to the highest turnover frequency(TOF)being obtained over the CoPc-COOH/CNT-NH_(2)hybrid catalyst.The inherent directivity and saturability of covalent bonds formed via the amidation reaction ensure not only a higher density of Co active centers,but also an improved stability for CO_(2)reduction reaction(CO_(2)RR).The present study represents an effective strategy for improving MMCs performance by molecular modulating of metal phthalocyanines on functionalized carbon substrates directed by click confinement chemistry. | Huajian Xu Huizhu Cai Linxia Cui Limei Yu Rui Gao Chuan Shi | 2023 | Nano Research2023，16，3： | 2 |
| 14 | New directions in mechanics显示文摘 | Michael E. Kassner Sia Nemat-Nasser Zhigang Suo Gang Bao J. Charles Barbour L. Catherine Brinson Horacio Espinosa Huajian Gao Steve Granick Peter Gumbsch Kyung-Suk Kim Wolfgang Knauss Ladislas Kubin James Langer Ben C. Larson L. Mahadevan Arun Majumdar Sa | 2004 | Mechanics of Materials2004，，2： | 2 |
| 15 | Indentation size effects in crystalline materials: a law for strain gradient plasticity 显示文摘 | NIX W D GAO Huajian | 1998 | Journal of the Mechanics and Physics of Solids1998，46，3： | 1 |
| 16 | Mechanical properties of nanostructure of biological materials 显示文摘 | Ji Baohua Gao Huajian | 2004 | J Mech Phys Solids2004，52，9： | 1 |
| 17 | Modeling fracture in nanomaterials via a virtual internal bond method 显示文摘 | Gao Huajian Ji Baohua | 2003 | Eng Fract Mech2003，70，14： | 1 |
| 18 | Mechanical properties of nanostructure of biological materials显示文摘 | Baohua Ji Huajian Gao | 2004 | Journal of the Mechanics and Physics of Solids2004，，9： | 1 |
| 19 | Effect of single wall carbon nanotubes on human HEK293 cells显示文摘 | Daxiang Cui Furong Tian Cengiz S. Ozkan Mao Wang Huajian Gao | 2004 | Toxicology Letters2004，，1： | 1 |
| 20 | New directions in mechanics显示文摘 | Michael E. Kassner Sia Nemat-Nasser Zhigang Suo Gang Bao J. Charles Barbour L. Catherine Brinson Horacio Espinosa Huajian Gao Steve Granick Peter Gumbsch Kyung-Suk Kim Wolfgang Knauss Ladislas Kubin James Langer Ben C. Larson L. Mahadevan Arun Majumdar Sa | 2004 | Mechanics of Materials2004，，2： | 1 |
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