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    Li-Ion Battery Capacity and Voltage Prediction Using Quantum Simulations
    2.
    发明申请
    Li-Ion Battery Capacity and Voltage Prediction Using Quantum Simulations 审中-公开
    锂离子电池容量和使用量子模拟的电压预测

    公开(公告)号：US20120130692A1

    公开(公告)日：2012-05-24

    申请号：US12953068

    申请日：2010-11-23

    申请人： Jun LI ,  Deepak Srivastava ,  Sang Yang

    发明人： Jun LI ,  Deepak Srivastava ,  Sang Yang

    IPC分类号： G06F17/50 ,  G06F17/10

    CPC分类号： H01M10/00 ,  G06F17/5009 ,  G06F19/701 ,  G06F19/704 ,  G06F2217/16 ,  H01M10/052

    摘要： Provided are methods and computer programs for predicting lithium battery properties. One method includes operations for selecting candidate structures for the battery, and for obtaining a plurality of delithiated structures of the candidate structures with different lithium concentrations. The quantum mechanical (QM) energies of the delithiated structures are calculated, and a functional form is developed to obtain the voltage of the lithium battery. The functional form is a function of the lithium concentration and is based on the QM energies of the delithiated structures. Further, the capacity of the lithium battery is calculated based on a selected lithium concentration, where the functional form returns a cut-off voltage of the lithium battery when the lithium concentration is equal to the selected lithium concentration.

    摘要翻译： 提供了用于预测锂电池性能的方法和计算机程序。 一种方法包括用于选择电池的候选结构的操作，以及用于获得具有不同锂浓度的候选结构的多个脱锂结构。 计算出脱锂结构的量子力学（QM）能量，并开发了一种功能形式来获得锂电池的电压。 功能形式是锂浓度的函数，并且基于脱锂结构的QM能量。 此外，锂电池的容量基于所选择的锂浓度计算，其中当锂浓度等于所选锂浓度时，功能形式返回锂电池的截止电压。

    Hybrid Model for Discharge Profile Prediction of Battery Electrode Materials Using Quantum Simulations
    3.
    发明申请
    Hybrid Model for Discharge Profile Prediction of Battery Electrode Materials Using Quantum Simulations 审中-公开
    使用量子模拟的电池电极放电轮廓预测的混合模型

    公开(公告)号：US20120130691A1

    公开(公告)日：2012-05-24

    申请号：US12953062

    申请日：2010-11-23

    申请人： Jun LI ,  Deepak Srivastava ,  Sang Yang

    发明人： Jun LI ,  Deepak Srivastava ,  Sang Yang

    IPC分类号： G06G7/58 ,  G06F7/60

    CPC分类号： H01M10/052 ,  G01R31/367 ,  G01R31/389 ,  H01M10/00

    摘要： Methods and systems for predicting lithium battery properties are presented. In one embodiment, a method includes an operation for creating an equivalent circuit of a battery cell, where the equivalent circuit includes a cathode equivalent circuit and a remainder equivalent circuit. Further, parameters for the cathode equivalent circuit are calculated using Quantum Mechanical (QM) simulation. Also included in the method are operations for obtaining parameters for the remainder equivalent circuit via experimentation, and for calculating the lithium battery properties using the equivalent circuit.

    摘要翻译： 介绍了预测锂电池性能的方法和系统。 在一个实施例中，一种方法包括用于创建电池单元的等效电路的操作，其中等效电路包括阴极等效电路和余数等效电路。 此外，使用量子力学（QM）模拟计算阴极等效电路的参数。 该方法中还包括通过实验获得剩余等效电路的参数以及使用等效电路计算锂电池特性的操作。

    METHOD OF TREATING PREVENTING, INHIBITING OR REDUCING DAMAGE TO CARDIAC TISSUE
    4.
    发明申请
    METHOD OF TREATING PREVENTING, INHIBITING OR REDUCING DAMAGE TO CARDIAC TISSUE 审中-公开
    治疗预防，抑制或减少对心脏组织损伤的方法

    公开(公告)号：US20090214507A1

    公开(公告)日：2009-08-27

    申请号：US11660376

    申请日：2005-08-19

    申请人： Deepak Srivastava ,  Ildiko Bock-Marquette ,  Ankor Saxena ,  Allan L. Goldstein

    发明人： Deepak Srivastava ,  Ildiko Bock-Marquette ,  Ankor Saxena ,  Allan L. Goldstein

    IPC分类号： A61K38/45 ,  C12Q1/00 ,  A61K38/28 ,  A61K38/16 ,  A61K38/08

    CPC分类号： A61K38/2292 ,  A61K38/00 ,  A61K2300/00

    摘要： A method of treatment for treating, preventing, inhibiting or reducing damage to coronary tissue includes inducing at least one of a physiological function selected from: up-regulation of or increasing ILK activity in the coronary tissue, up-regulation of or increasing Akt activity in the coronary tissue, down-regulation of or reducing cardiomyocyte cell death in the coronary tissue and hibernation of cardiomyocytes in the coronary tissue. An induction agent capable of inducing such physiological function in a subject is administered to a subject in need of such treatment.

    摘要翻译： 用于治疗，预防，抑制或降低对冠状动脉组织损伤的治疗方法包括诱导下列生理功能中的至少一种：选自以下的生理功能：冠状组织的上调或增加ILK活性，上调Akt活性或增加Akt活性 冠状组织，冠状组织中心肌细胞死亡或冠状动脉组织心肌细胞的下调或减少。 将能够在受试者中诱导这种生理功能的诱导剂施用于需要这种治疗的受试者。

    Li-ion battery capacity and voltage prediction using quantum simulations
    6.
    发明授权
    Li-ion battery capacity and voltage prediction using quantum simulations 有权

    公开(公告)号：US10177398B2

    公开(公告)日：2019-01-08

    申请号：US12953068

    申请日：2010-11-23

    申请人： Jun Li ,  Deepak Srivastava ,  Sang Yang

    发明人： Jun Li ,  Deepak Srivastava ,  Sang Yang

    IPC分类号： H01M10/00 ,  H01M10/052 ,  H01M10/0525 ,  G06F17/50 ,  G06F19/00

    摘要： Provided are methods and computer programs for predicting lithium battery properties. One method includes operations for selecting candidate structures for the battery, and for obtaining a plurality of delithiated structures of the candidate structures with different lithium concentrations. The quantum mechanical (QM) energies of the delithiated structures are calculated, and a functional form is developed to obtain the voltage of the lithium battery. The functional form is a function of the lithium concentration and is based on the QM energies of the delithiated structures. Further, the capacity of the lithium battery is calculated based on a selected lithium concentration, where the functional form returns a cut-off voltage of the lithium battery when the lithium concentration is equal to the selected lithium concentration.

    Simulated X-ray diffraction spectra for analysis of crystalline materials
    7.
    发明授权
    Simulated X-ray diffraction spectra for analysis of crystalline materials 有权
    用于分析晶体材料的模拟X射线衍射光谱

    公开(公告)号：US09589098B2

    公开(公告)日：2017-03-07

    申请号：US12953080

    申请日：2010-11-23

    申请人： Deepak Srivastava ,  Sang Yang ,  Jun Li

    发明人： Deepak Srivastava ,  Sang Yang ,  Jun Li

    IPC分类号： G06G7/48 ,  G06F19/00

    CPC分类号： G06F19/00 ,  H01M10/00 ,  H01M10/0525

    摘要： Methods and computer programs to quantify defects in an experimentally synthesized material for use in a battery are provided. A method includes an operation for obtaining spectra of the experimentally synthesized material. Further, defected structures of a crystalline structure are created via simulation, and spectra of the defected structures are obtained via simulation. In another method operation, the spectra of the experimentally synthesized material is compared to the spectra of the defected structures obtained via simulation, and if the spectra of the experimentally synthesized material is substantially equal to the spectra of the defected structures obtained via simulation then the defects in the experimentally synthesized material are quantified according to the defects in the defected structures.

    摘要翻译： 提供了用于量化用于电池的实验合成材料中的缺陷的方法和计算机程序。 一种方法包括获得实验合成材料的光谱的操作。 此外，通过模拟产生晶体结构的缺陷结构，并且通过模拟获得缺陷结构的光谱。 在另一种方法操作中，将实验合成材料的光谱与通过模拟获得的缺陷结构的光谱进行比较，并且如果实验合成材料的光谱基本上等于通过模拟获得的缺陷结构的光谱，则缺陷 在实验合成材料中根据缺陷结构的缺陷量化。