Autonomous experimentation–or self-driving labs–offers a systematic approach to accelerate materials discovery by integrating automated synthesis,characterization,and data-driven decisionmaking.We present a closed-l...Autonomous experimentation–or self-driving labs–offers a systematic approach to accelerate materials discovery by integrating automated synthesis,characterization,and data-driven decisionmaking.We present a closed-loop workflow for the on-demand synthesis and structural characterization of colloidal gold nanoparticles,enabling direct mapping from composition to nanoscale structure.Our framework leverages differentiable models of spectral shape to address two central tasks in self-driving labs:(a)phase mapping,or identifying compositional regions with distinct structural behavior;and(b)material retrosynthesis,or optimizing compositions for target structure.Using functional data analysis,we develop a data-driven model with generative pre-training,active learning,and high-throughput experiments to predict spectral responses across composition space.We demonstrate the approach on seed-mediated growth of gold nanoparticles,showcasing its ability to extract design rules,reveal secondary interactions,and efficiently navigate morphology space.Gradient-based optimization of the models enables inverse design,making this a unified platform.展开更多
The nonlinear behaviors of plane coupled motions for a given two-point tension mooring system, are discussed in the present paper. For a cylinder moored by two taut lines under the action of gravity, buoyance and forc...The nonlinear behaviors of plane coupled motions for a given two-point tension mooring system, are discussed in the present paper. For a cylinder moored by two taut lines under the action of gravity, buoyance and forces due to wave-current and mooring lines, a mathematical model of motions with three degrees of freedom is established. The steady solution and stability are analyzed. By integrating the equations of motions, history, phase map and Poincare map are obtained. The Liapunov exponents are also computed. The numerical results show that: the horizontal movement will increase, and stability will also increase as the steady force increases. The amplitude of responses will decrease as time-dependent forces decrease. Because of the geometric nonlinearity, there exist many windows bifurcating to pseudo-periodic or multi-periodic solution. The bifurcating patterns may be different. The behaviors are very complex. Under wave excitation alone, the motions are nonsymmetrical but still symmetrical statistically.展开更多
The mapping phase is a key stage of the Tianwen-1 orbiter. It has the longest exploration time and gathers abundant radio tracking data via the Chinese deep space network. Thus, it also provides opportunities for radi...The mapping phase is a key stage of the Tianwen-1 orbiter. It has the longest exploration time and gathers abundant radio tracking data via the Chinese deep space network. Thus, it also provides opportunities for radio science research topics such as the Mars gravity field model, ephemeris, and radio occultation experiments. At this stage, the need for imaging takes the highest priority, leading to frequent attitude adjustments for the spacecraft, which presents challenges for Precise Orbit Determination (POD). To improve the accuracy of the spacecraft’s orbit, this study analyzes the effects of arc length, the empirical acceleration, and the solar radiation pressure parameters on POD, considering the limited number of radio tracking observations. For one-day arcs, the POD is not able to adequately account for wheel off-loading and a few unknown forces with limited observations, but reasonable fitting is performed for the wheel off-loading occurring during tracking periods or the gap between two tracking periods. When extending the POD arc to three days, the estimated empirical acceleration can be well-fitted and reflects the aggregation feature, but the solar radiation pressure parameter has little impact on POD results. The root mean square of two-way range-rate residuals after POD is about 0.18-0.35 mm/s;the orbital position accuracy of 60% of the arcs is better than 100 m.展开更多
Segmentation of the thrust fault zone is a basic problem for earthquake hazard evaluation. The Yingjing-Mabian-Yanjin thrust fault zone is an important seismic belt NW-trending in the southeast margin of the Qinghal-X...Segmentation of the thrust fault zone is a basic problem for earthquake hazard evaluation. The Yingjing-Mabian-Yanjin thrust fault zone is an important seismic belt NW-trending in the southeast margin of the Qinghal-Xizang （Tibet） plateau. The longitudinal faults in the thrust zone are mainly of the thrust slipping type. The late Quaternary motion modes and displacement rates are quite different from north to south. Investigation on valleys across the fault shows that the transverse faults are mainly of dextral strike-slipping type with a bit dip displacement. Based on their connections with the longitudinal faults, three types of transverse faults are generalized, namely： the separate fault, the transform fault and the tear fault, and their functions in the segmentation of the thrust fault zone are compared. As the result, the Yingjing-Mabian-Yanjin thrust fault zone is divided into three segments, and earthquakes occurring in these three segments are compared. The tri-section of the Yingjing-Mabian-Yanjin thrust fault zone identified by transverse fault types reflects, on the one hand, the differences in slip rate, earthquake magnitude and pace from each segment, and the coherence of earthquake rupturing pace on the other hand. It demonstrates that the transverse faults control the segmentation to a certain degree, and each type of the transverse faults plays a different role.展开更多
Mixed tin-ead perovskites suffer from structural instability and rapid tin oxidation;thus,the investigation of their optimal composition ranges is important to address these inherent weaknesses.The critical role of tr...Mixed tin-ead perovskites suffer from structural instability and rapid tin oxidation;thus,the investigation of their optimal composition ranges is important to address these inherent weaknesses.The critical role of triple cations in mixed Sn–Pb iodides is studied by performing a wide range of compositional screenings over mechanochemically synthesized bulk and solution-processed thin films.A ternary phase map of FA(Sn_(0.6)Pb_(0.4))I_(3),MA(Sn_(0.6)Pb_(0.4))I_(3),and Cs(Sn_(0.6)Pb_(0.4))I_(3)is formed,and a promising composition window of(FA_(0.6-x)MA_(0.4)Cs_(x))Sn_(0.6)Pb_(0.4)I_(3)(0≤x≤0.1)is demonstrated through phase,photoluminescence,and stability evaluations.Solar cell performance and chemical stability across the targeted compositional space are investigated,and FA_(0.55)MA_(0.4)Cs_(0.05)Sn_(0.6)Pb_(0.4)I_(3)with strain-relaxed lattices,reduced defect densities,and improved oxidation stability is demonstrated.The inverted perovskite solar cells with the optimal composition demonstrate a power conversion efficiency of over 22%with an open-circuit voltage of 0.867 V,which corresponds to voltage loss of 0.363 V,promising for the development of narrow-bandgap perovskite solar cells.展开更多
基金funded primarily by the US Department of Energy (DOE), Office of Science, and Office of Basic Energy Sciences (BES) under award number DE-SC0019911Funding for H.T.C. was provided through the Energy Frontier Research Centers program: CSSAS—The Center for the Science of Synthesis Across Scales—under Award Number DE-SC0019288+2 种基金A.G. was supported by the University of Washington Molecular Engineering Materials Center (MEM-C, NSF grant DMR-2308979) as a part of the Academic Year Research Acceleration Research Experience for Undergraduates program. This work was also facilitated by the advanced computational, storage, and networking infrastructure provided by the Hyak supercomputer system and the Department of Chemical Engineering at the University of Washington. Part of this work was conducted at the Molecular Analysis Facility, a National Nanotechnology Coordinated Infrastructure (NNCI) site at the University of Washingtonsupported in part by funds from the National Science Foundation (awards NNCI-2025489, NNCI-1542101)the Molecular Engineering & Sciences Institute, and the Clean Energy Institute.
文摘Autonomous experimentation–or self-driving labs–offers a systematic approach to accelerate materials discovery by integrating automated synthesis,characterization,and data-driven decisionmaking.We present a closed-loop workflow for the on-demand synthesis and structural characterization of colloidal gold nanoparticles,enabling direct mapping from composition to nanoscale structure.Our framework leverages differentiable models of spectral shape to address two central tasks in self-driving labs:(a)phase mapping,or identifying compositional regions with distinct structural behavior;and(b)material retrosynthesis,or optimizing compositions for target structure.Using functional data analysis,we develop a data-driven model with generative pre-training,active learning,and high-throughput experiments to predict spectral responses across composition space.We demonstrate the approach on seed-mediated growth of gold nanoparticles,showcasing its ability to extract design rules,reveal secondary interactions,and efficiently navigate morphology space.Gradient-based optimization of the models enables inverse design,making this a unified platform.
基金This work was financially supported by the National Natural Science Foundation of China
文摘The nonlinear behaviors of plane coupled motions for a given two-point tension mooring system, are discussed in the present paper. For a cylinder moored by two taut lines under the action of gravity, buoyance and forces due to wave-current and mooring lines, a mathematical model of motions with three degrees of freedom is established. The steady solution and stability are analyzed. By integrating the equations of motions, history, phase map and Poincare map are obtained. The Liapunov exponents are also computed. The numerical results show that: the horizontal movement will increase, and stability will also increase as the steady force increases. The amplitude of responses will decrease as time-dependent forces decrease. Because of the geometric nonlinearity, there exist many windows bifurcating to pseudo-periodic or multi-periodic solution. The bifurcating patterns may be different. The behaviors are very complex. Under wave excitation alone, the motions are nonsymmetrical but still symmetrical statistically.
基金supported by the National Natural Science Foundation of China(Grant Nos.12203002 and 42241116)National Key R&D Program of China(No.2022YFF0503202).
文摘The mapping phase is a key stage of the Tianwen-1 orbiter. It has the longest exploration time and gathers abundant radio tracking data via the Chinese deep space network. Thus, it also provides opportunities for radio science research topics such as the Mars gravity field model, ephemeris, and radio occultation experiments. At this stage, the need for imaging takes the highest priority, leading to frequent attitude adjustments for the spacecraft, which presents challenges for Precise Orbit Determination (POD). To improve the accuracy of the spacecraft’s orbit, this study analyzes the effects of arc length, the empirical acceleration, and the solar radiation pressure parameters on POD, considering the limited number of radio tracking observations. For one-day arcs, the POD is not able to adequately account for wheel off-loading and a few unknown forces with limited observations, but reasonable fitting is performed for the wheel off-loading occurring during tracking periods or the gap between two tracking periods. When extending the POD arc to three days, the estimated empirical acceleration can be well-fitted and reflects the aggregation feature, but the solar radiation pressure parameter has little impact on POD results. The root mean square of two-way range-rate residuals after POD is about 0.18-0.35 mm/s;the orbital position accuracy of 60% of the arcs is better than 100 m.
基金The research was sponsored bythe keyresearch project entitled"Seismic Safety Evaluation and Structural Earthquake Resistance"under the 10th Five-Year Program of the ChinaEarthquake Administration the Joint Earthquake Science Foundation of China (0101302) Contribution number :2005A001 ,the Institute of Crustal Dynamics ,CEA.
文摘Segmentation of the thrust fault zone is a basic problem for earthquake hazard evaluation. The Yingjing-Mabian-Yanjin thrust fault zone is an important seismic belt NW-trending in the southeast margin of the Qinghal-Xizang （Tibet） plateau. The longitudinal faults in the thrust zone are mainly of the thrust slipping type. The late Quaternary motion modes and displacement rates are quite different from north to south. Investigation on valleys across the fault shows that the transverse faults are mainly of dextral strike-slipping type with a bit dip displacement. Based on their connections with the longitudinal faults, three types of transverse faults are generalized, namely： the separate fault, the transform fault and the tear fault, and their functions in the segmentation of the thrust fault zone are compared. As the result, the Yingjing-Mabian-Yanjin thrust fault zone is divided into three segments, and earthquakes occurring in these three segments are compared. The tri-section of the Yingjing-Mabian-Yanjin thrust fault zone identified by transverse fault types reflects, on the one hand, the differences in slip rate, earthquake magnitude and pace from each segment, and the coherence of earthquake rupturing pace on the other hand. It demonstrates that the transverse faults control the segmentation to a certain degree, and each type of the transverse faults plays a different role.
基金supported by the Korea Electric Power Corporation(Grant number:R20XO02-1)the National Research Foundation of Korea(NRF)funded by the Ministry of Science,ICT(NRF-2019R1A2C1084010).
文摘Mixed tin-ead perovskites suffer from structural instability and rapid tin oxidation;thus,the investigation of their optimal composition ranges is important to address these inherent weaknesses.The critical role of triple cations in mixed Sn–Pb iodides is studied by performing a wide range of compositional screenings over mechanochemically synthesized bulk and solution-processed thin films.A ternary phase map of FA(Sn_(0.6)Pb_(0.4))I_(3),MA(Sn_(0.6)Pb_(0.4))I_(3),and Cs(Sn_(0.6)Pb_(0.4))I_(3)is formed,and a promising composition window of(FA_(0.6-x)MA_(0.4)Cs_(x))Sn_(0.6)Pb_(0.4)I_(3)(0≤x≤0.1)is demonstrated through phase,photoluminescence,and stability evaluations.Solar cell performance and chemical stability across the targeted compositional space are investigated,and FA_(0.55)MA_(0.4)Cs_(0.05)Sn_(0.6)Pb_(0.4)I_(3)with strain-relaxed lattices,reduced defect densities,and improved oxidation stability is demonstrated.The inverted perovskite solar cells with the optimal composition demonstrate a power conversion efficiency of over 22%with an open-circuit voltage of 0.867 V,which corresponds to voltage loss of 0.363 V,promising for the development of narrow-bandgap perovskite solar cells.
