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Item Modeling and simulation of heat of mixing in li ion batteries(2015) Song, Zhibin; Zhu, LikunHeat generation is a major safety concern in the design and development of Li ion batteries (LIBs) for large scale applications, such as electric vehicles. The total heat generation in LIBs includes entropic heat, enthalpy, reaction heat, and heat of mixing. The main objective of this study is to investigate the influence of heat of mixing on the LIBs and to understand whether it is necessary to consider the heat of mixing during the design and development of LIBs. In the previous research, Thomas and Newman derived methods to compute heat of mixing in LIB cells. Their results show that the heat of mixing cannot be neglected in comparison with the other heat sources at 2 C rate. In this study, the heat of mixing in different materials, porosity, particle sizes, and charging/discharging rate was investigated. A COMSOL mathematical model was built to simulate the heat generation of LIBs. The LIB model was based on Newman’s model. LiMn2O4 and LiCoO2 were applied as the cathode materials, and LiC6 was applied as the anode material. The results of heat of mixing were compared with the other heat sources to investigate the weight of heat of mixing in the total heat generation. The heat of mixing in cathode is smaller than the heat of mixing in anode, because of the diffusivity of LiCoO2 is 1 ×10-13 m2/s, which is larger than LiC6's diffusivity 2.52 × 10-14 m2/s. In the comparison, the heat of mixing is not as much as the irreversible heat and reversible heat, but it still cannot be neglected. Finally, a special situation will be discussed, which is the heat of mixing under the relaxation status. For instance, after the drivers turn off their vehicles, the entropy, ix enthalpy and reaction heat in LIBs will stop generating, but the heat will still be generated due to the release of heat of mixing. Therefore, it is meaningful to investigate to see if this process has significant influence on the safety and cycle life of LIBs.Item Towards a high performance parallel library to compute fluid flexible structures interactions(2015-04-08) Nagar, Prateek; Song, Fengguang; Zhu, Luoding; Mukhopadhyay, SnehasisLBM-IB method is useful and popular simulation technique that is adopted ubiquitously to solve Fluid-Structure interaction problems in computational fluid dynamics. These problems are known for utilizing computing resources intensively while solving mathematical equations involved in simulations. Problems involving such interactions are omnipresent, therefore, it is eminent that a faster and accurate algorithm exists for solving these equations, to reproduce a real-life model of such complex analytical problems in a shorter time period. LBM-IB being inherently parallel, proves to be an ideal candidate for developing a parallel software. This research focuses on developing a parallel software library, LBM-IB based on the algorithm proposed by [1] which is first of its kind that utilizes the high performance computing abilities of supercomputers procurable today. An initial sequential version of LBM-IB is developed that is used as a benchmark for correctness and performance evaluation of shared memory parallel versions. Two shared memory parallel versions of LBM-IB have been developed using OpenMP and Pthread library respectively. The OpenMP version is able to scale well enough, as good as 83% speedup on multicore machines for <=8 cores. Based on the profiling and instrumentation done on this version, to improve the data-locality and increase the degree of parallelism, Pthread based data centric version is developed which is able to outperform the OpenMP version by 53% on manycore machines. A distributed version using the MPI interfaces on top of the cube based Pthread version has also been designed to be used by extreme scale distributed memory manycore systems.