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| 1 | Lattice Boltzmann modeling of transport phenomena in fuel cells and flow batteries显示文摘Fuel cells and flow batteries are promising technologies to address climate change and air pollution problems. An understanding of the complex multiscale and multiphysics transport phenomena occurring in these electrochemical systems requires powerful numerical tools. Over the past decades, the lattice Boltzmann(LB) method has attracted broad interest in the computational fluid dynamics and the numerical heat transfer communities, primarily due to its kinetic nature making it appropriate for modeling complex multiphase transport phenomena. More importantly, the LB method fits well with parallel computing due to its locality feature, which is required for large-scale engineering applications. In this article, we review the LB method for gas–liquid two-phase flows, coupled fluid flow and mass transport in porous media, and particulate flows. Examples of applications are provided in fuel cells and flow batteries. Further developments of the LB method are also outlined. | Ao Xu Wei Shyy Tianshou Zhao | 2017 | Acta Mechanica Sinica2017，33，3： | 12 |
| 2 | Ab initio prediction and characterization of phosphorene-like SiS and SiSe as anode materials for sodium-ion batteries显示文摘In this work, a density functional theory(DFT) based first-principles study is carried out to investigate the potential of phosphorene-like SiS and SiSe monolayers as anode materials for sodium-ion(Na-ion) batteries. Results show that both SiS and SiSe have large adsorption energies towards single Na atom of 0.94 and 0.43 eV, owing to the charge transfers from Na to SiS or SiSe. In addition, it is found that the highest Na concentration for both SiS and SiSe is x = 1 with the chemical formulas of Na SiS and Na SiSe, corresponding to the high theoretical specific capacities for Na storages of 445.6 and 250.4 m Ah g^(-1), respectively. Moreover, Na diffusions are very fast and show strong directional behaviors on SiS and SiSe monolayers, with the energy barriers of only 0.135 and 0.158 eV, lower than those of conventional anode materials for Na-ion batteries such as Na_2Ti_3O_7(0.19 eV) and Na_3Sb(0.21 eV). Finally,although SiS and SiSe show semiconducting behaviors, they transform to metallic states after adsorbing Na atoms, indicating enhanced electrical conductivity during battery cycling. Given these advantages, it is expected that both SiS and SiSe monolayers are promising anode materials for Na-ion batteries, and in principle, other Na-based batteries as well. | Haoran Jiang Tianshou Zhao Yuxun Ren Ruihan Zhang Maochun Wu | 2017 | Science Bulletin2017，62，8： | 6 |
| 3 | Ab initio prediction of borophene as an extraordinary anode material exhibiting ultrafast directional sodium diffusion for sodium-based batteries显示文摘Density functional theory calculations and ab initio molecular dynamics simulations are performed to study the feasibility of using borophene, a newly synthesized two-dimensional sheet of boron, as an anode material for sodium-ion and sodium–oxygen batteries. The theoretical capacity of borophene is found to be as high as1,218 m Ah g–1(Na0.5B). More importantly, it is demonstrated that the sodium diffusion energy barrier along the valley direction is as low as 0.0019 e V, which corresponds to a diffusivity of more than a thousand times higher than that of conventional anode materials such as Na2Ti3O7 and Na3Sb. Hence, the use of borophene will revolutionize the rate capability of sodium-based batteries. Moreover, it is predicted that, during the sodiation process, the average open-circuit voltage is 0.53 V, which can effectively suppress the formation of dendrites while maximizing the energy density. The metallic feature and structural integrity of borophene can be well preserved at different sodium concentrations, demonstrating good electronic conductivity and stable cyclability. | Le Shi Tianshou Zhao Ao Xu Jianbo Xu | 2016 | Science Bulletin2016，61，14： | 6 |
| 4 | A Li-S battery with ultrahigh cycling stability and enhanced rate capability based on novel ZnO yolk-shell sulfur host显示文摘Currently,lithium-sulfur(Li-S)batteries still suffer from fast capacity decay,poor coulombic efficiency(CE)and short cycling lifespan,which result from the severe shuttle effect issue caused by high solubility and rapid diffusion of lithium polysulfides(Li PSs)in organic electrolytes.Here,yolk-shell zinc oxide(YSZn O)spheres are synthesized and for the first time,applied as a host for Li-S batteries to tackle this challenge.The polar Zn O exhibits high chemical anchoring ability toward Li PSs while the unique yolk-shell structure not only provides an additional physical barrier to Li PSs but also enables much more uniform sulfur distribution,thus significantly suppressing Li PSs shuttling effect meanwhile promoting sulfur conversion reactions.As a result,the YS-Zn O enables the Li-S battery to display an initial specific capacity of1355 m Ah g^(-1) and an outstanding capacity retention capability(~89.44%retention rate)even after 500 cycles with the average CE of~99.46%at the current of 0.5 C.By contrast,the capacity of conventional-Zn O-nanoparticles based battery severely decays to 472 m Ah g^(-1) after cycling for 500 times.More impressively,the S/YS-Zn O based Li-S battery can maintain a low decay rate of 0.040%every cycle and high average CE of 98.82%over 1000 cycles at 3 C. | Ruihan Zhang Maochun Wu Xinzhuang Fan Haoran Jiang Tianshou Zhao | 2021 | Journal of Energy Chemistry2021，30，4： | 5 |
| 5 | A novel energy storage system incorporating electrically rechargeable liquid fuels as the storage medium显示文摘We propose a novel concept of energy storage that incorporates electrically rechargeable liquid fuels made of electroactive species, known as e-fuels, as the storage medium. This e-fuel energy storage system comprises an e-fuel charger and an e-fuel cell. The e-fuel charger electrically charges e-fuels, while the efuel cell subsequently generates electricity using charged e-fuels whenever and wherever on demand.The e-fuel energy storage system possesses all the advantages of conventional hydrogen storage systems,but unlike hydrogen, liquid e-fuels are as easy and safe to store and transport as gasoline. The potential efuel candidates have been identified to include inorganic electroactive materials, organic electroactive materials, and suspension of solid electroactive materials. In this work, we demonstrate an example efuel energy storage system for large-scale energy storage using inorganic e-fuels composed of V^(2+)/V^(3+) and VO_2^+/VO_2^+ redox couples, and compare the performance of the e-fuel energy storage system with that of existing technologies. Results show that our e-fuel charger achieves a charge efficiency of as high as~94%, while the e-fuel cell is capable of delivering a peak power density of 3.4 W cm^(-2), which is 1.7 times higher than that of hydrogen fuel cells. More excitingly, the e-fuel energy storage system exhibits a round-trip efficiency of 80.0% and an electrolyte utilization of 83.0% at an ultra-high discharge current density of 1,000 mA cm^(-2), which are 19.9% and 67.3% higher than those of conventional vanadium redox flow batteries. This unprecedented performance allows a 27.0% reduction in the capital cost of the e-fuel energy storage system compared with that of vanadium redox flow batteries. | Haoran Jiang Lei Wei Xinzhuang Fan Jianbo Xu Wei Shyy Tianshou Zhao | 2019 | Science Bulletin2019，64，4： | 2 |
| 6 | Evaluation of shale fracture toughness based on micrometer indentation test显示文摘It is an important mechanical parameter for fracture toughness that affects hydraulic fracturing.Some methods such as indoor test core and logging data interpretation are commonly used to obtain fracture toughness.These methods,however,have their own limitations.Liu's method has focused the mechanical properties of shale including fracture toughness based on micro-/nano-indentation experiments.Zeng's method has pointed that the former method of calculating fracture toughness ignores the maximum holding stage in the indentation-displacement curves,they point out and correct the fracture stress intensity factor model,but the final calculation of the fracture toughness of the numerical difference is of two orders of magnitude.In this paper,micro-indentation experiments were carried out to further analyze and correct the model by collecting and analyzing Longmaxi shale cuttings.After Zeng and Liu's methods are combined,the irreversible elastic energy by energy area actually was measured.To some extent,the difference between the two kinds of fracture toughness is reduced. | Xue Su Ping Chen Tianshou Ma | 2019 | Petroleum2019，5，1： | 2 |
| 7 | DTFLOW:Inference and Visualization of Single-cell Pseudotime Trajectory Using Diffusion Propagation显示文摘One of the major challenges in single-cell data analysis is the determination of cellular developmental trajectories using single-cell data.Although substantial studies have been conducted in recent years,more effective methods are still strongly needed to infer the developmental processes accurately.This work devises a new method,named DTFLOW,for determining the pseudotemporal trajectories with multiple branches.DTFLOW consists of two major steps:a new method called Bhattacharyya kernel feature decomposition(BKFD)to reduce the data dimensions,and a novel approach named Reverse Searching on k-nearest neighbor graph(RSKG)to identify the multi-branching processes of cellular differentiation.In BKFD,we first establish a stationary distribution for each cell to represent the transition of cellular developmental states based on the random walk with restart algorithm,and then propose a new distance metric for calculating pseudotime of single cells by introducing the Bhattacharyya kernel matrix.The effectiveness of DTFLOW is rigorously examined by using four single-cell datasets.We compare the efficiency of DTFLOW with the published state-of-the-art methods.Simulation results suggest that DTFLOW has superior accuracy and strong robustness properties for constructing pseudotime trajectories.The Python source code of DTFLOW can be freely accessed at http://gffzz188fe103f8f1460asff5xq6pv0b5o6xob.ffgz.tsg.suse.edu.cn/statway/DTFLOW. | Jiangyong Wei Tianshou Zhou Xinan Zhang Tianhai Tian | 2021 | Genomics, Proteomics & Bioinformatics2021，19，2： | 2 |
| 8 | Communication- induced multistability and multirhythmicity in a synthetic multicelouoar system显示文摘 | Qizhi Yi Tianshou Zhou | 2011 | PRE2011，83，05： | 1 |
| 9 | Chaos synchronization between linearly coupled chaotic sys- tem显示文摘 | LU Jinhu ZHOU Tianshou ZHANG Suochun | 2002 | Chaos Solitons and Fractals2002，20，14： | 1 |
| 10 | Preparation and the physical/electrochemical properties of a Pt/C nanocatalyst stabilized by citric acid for polymer electrolyte fuel cells 显示文摘 | GUO Jianwei ZHAO Tianshou Prabhuram J | 2005 | Electrochimica Acta2005，50，10： | 1 |
| 11 | A correlation of optimal heat rejection pressure in transcritical carbon dioxide cycles 显示文摘 | Liao Shengming Zhao Tianshou Jakobsen A | 2000 | Applied Thermal Engineering2000，20，9： | 1 |
| 12 | Direet synthesis of Propylene and light olefins from dimethyl ethere catalyzed by modified HZSM-5显示文摘 | Zhao Tianshou Takemoto T Tsubaki N | 2006 | Catal Comrnun2006，7，9： | 1 |
| 13 | A numerical solution of laminar forced convection in a heated pipe subjected to a reciprocating flow显示文摘 | Cheng P | 1995 | Int J Heat Mass Transfer1995，38，16： | 1 |
| 14 | The friction coefficient of a fully developed laminar reciprocating flow in a circular pipe显示文摘 | Cheng P | 1996 | Int J Heat and Fluid Flow1996，17，2： | 1 |
| 15 | ?i’lnikov Chaos in the Generalized Lorenz Canonical Form of Dynamical Systems显示文摘 | Tianshou Zhou Guanrong Chen Sergej ?elikovskY | 2005 | Nonlinear Dynamics2005，，4： | 1 |
| 16 | Dynamical behavior in linearly coupled Oregonators显示文摘 | Zhou Tianshou Zhang Suochun | 2001 | Physical D: Nonlinear Phenomena2001，151，24： | 1 |
| 17 | Promoter-mediated transcrip- tional dynamics 显示文摘 | Zhang Jiajun Zhou Tianshou | 2014 | Biophys J2014，106，2： | 1 |
| 18 | Chaos synchronization between linearly coupled chaotic systems 显示文摘 | Lu Jinhu Zhou Tianshou Zhang Suochun | 2002 | Chaos Solitons and Fractals2002，14，： | 1 |
| 19 | Dynamical analysis of mCAT2 gene models with CTN-RNA nuclear retention 显示文摘 | Wang Qianliang Zhou Tianshou | 2015 | Phys Biol2015，12，01： | 1 |
| 20 | Comment on 'binomial moment equations for chemical reaction net- Norks' 显示文摘 | Zhang Jiajun Huang Lifang Zhou Tianshou | 2014 | Phys Rev Lett2014，112，08： | 1 |
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