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Vehicular computation offloading is a well-received strategy to execute delay-sensitive and/or compute-intensive tasks of legacy vehicles. The response time of vehicular computation offloading can be shortened by using mobile edge computing that offers strong computing power, driving these computation tasks closer to end users. However, the quality of communication is hard to guarantee due to the obstruction of dense buildings or lack of infrastructure in some zones. Unmanned Aerial Vehicles (UAVs), therefore, have become one of the means to establish communication links for the two ends owing to its characteristics of ignoring terrain and flexible deployment. To make a sensible decision of computation offloading, nevertheless vehicles need to gather offloading-related global information, in which Software-Defined Networking (SDN) has shown its advances in data collection and centralized management. In this paper, thus, we propose an SDN-enabled UAV-assisted vehicular computation offloading optimization framework to minimize the system cost of vehicle computing tasks. In our framework, the UAV and the Mobile Edge Computing (MEC) server can work on behalf of the vehicle users to execute the delay-sensitive and compute-intensive tasks. The UAV, in a meanwhile, can also be deployed as a relay node to assist in forwarding computation tasks to the MEC server. We formulate the offloading decision-making problem as a multiplayers computation offloading sequential game, and design the UAV-assisted Vehicular Computation Cost Optimization (UVCO) algorithm to solve this problem. Simulation results demonstrate that our proposed algorithm can make the offloading decision to minimize the Average System Cost (ASC).

We report the dramatic triggering of structural order in a Zr(IV)-based metal−organic framework (MOF) through docking of HgCl 2 guests. Although as-made crystals were unsuitable for single crystal X-ray diffraction (SCXRD), with diffraction limited to low angles well below atomic resolution due to intrinsic structural disorder, permeation of HgCl 2 not only leaves the crystals intact but also resulted in fully resolved backbone as well as thioether side groups. The crystal structure revealed elaborate HgCl 2 -thioether aggregates nested within the host octahedra to form a hierarchical, multifunctional net. The chelating thioether groups also promote Hg(II) removal from water, while the trapped Hg(II) can be easily extricated by 2-mercaptoethanol to reactivate the MOF sorbent.

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Summary Microstructural evolution is a key aspect of understanding and exploiting the processing-structure-property relationship of materials. Modeling microstructure evolution usually relies on coarse-grained simulations with evolution principles described by partial differential equations (PDEs). Here we demonstrate that convolutional recurrent neural networks can learn the underlying physical rules and replace PDE-based simulations in the prediction of microstructure phenomena. Neural nets are trained by self-supervised learning with image sequences from simulations of several common processes, including plane-wave propagation, grain growth, spinodal decomposition, and dendritic crystal growth. The trained networks can accurately predict both short-term local dynamics and long-term statistical properties of microstructures assessed herein and are capable of extrapolating beyond the training datasets in spatiotemporal domains and configurational and parametric spaces. Such a data-driven approach offers significant advantages over PDE-based simulations in time-stepping efficiency and offers a useful alternative, especially when the material parameters or governing PDEs are not well determined.

Antisite defects are a type of point defect ubiquitously present in intercalation compounds for energy storage applications. While they are often considered a deleterious feature, here we elucidate a mechanism of antisite defects enhancing lithium intercalation kinetics in LiFePO4 by accelerating the FePO4 → LiFePO4 phase transformation. Although FeLi antisites block Li movement along the [010] migration channels in LiFePO4, phase-field modeling reveals that their ability to enhance Li diffusion in other directions significantly increases the active surface area for Li intercalation in the surface-reaction-limited kinetic regime, which results in order-of-magnitude improvement in the phase transformation rate compared to defect-free particles. Antisite defects also promote a more uniform reaction flux on (010) surface and prevent the formation of current hotspots under galvanostatic (dis)charging conditions. We analyze the scaling relation between the phase boundary speed, Li diffusivity and particle dimensions and derive the criteria for the co-optimization of defect content and particle geometry. A surprising prediction is that (100)-oriented LiFePO4 plates could potentially deliver better performance than (010)-oriented plates when the Li intercalation process is surface-reaction-limited. Our work suggests tailoring antisite defects as a general strategy to improve the rate performance of phase-changing battery compounds with strong diffusion anisotropy.

Many compounds used as battery storage electrodes undergo large composition changes during use that are accompanied by a first-order phase transition. Most studies of these phase transitions have focused on the unit cell to single-crystallite scale, whereas real battery electrodes are typically composed of mesoscopic assemblies of nanocrystallites, for which phase transformation mechanisms are poorly understood. In this work, a systematic study is conducted of the potentiostatic (constant driving force) kinetics of phase transition in secondary particles of representative intercalation compounds: LiFePO 4 , LiMn 1−x Fe x PO 4 , and Li 4 Ti 5 O 7 . Storage kinetics are studied as a function of overpotential, material composition, primary particle size, and temperature. We find that in regimes where phase transformation occurs, the results can be self-consistently explained as nucleation and growth kinetics within the framework of the Johnson−Mehl−Avrami−Kolmogorov model. This implies that despite the common secondary particle topology, the electrochemically driven phase transformations occur by nucleation and growth with little apparent resistance to phase propagation across the grain boundaries. Growth appears to be one-dimensional in nature, consistent with a hybrid growth model in which rapid surface propagation is followed by slower growth into particles.

Lithium iron phosphate (LiFePO4) olivine cathode displays non-uniform delithiation front induced by coherency stress between LiFePO4 and FePO4 phases.