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32 条记录 (耗时 0.026 秒)

    Simulated X-Ray Diffraction Spectra for Analysis of Crystalline Materials
    23.
    发明申请
    Simulated X-Ray Diffraction Spectra for Analysis of Crystalline Materials 有权
    模拟X射线衍射光谱分析结晶材料

    公开(公告)号：US20120130694A1

    公开(公告)日：2012-05-24

    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

    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。

    Notch1 variants associated with cardiovascular disease
    25.
    发明授权
    Notch1 variants associated with cardiovascular disease 失效
    Notch1变异与心血管疾病有关

    公开(公告)号：US07629121B2

    公开(公告)日：2009-12-08

    申请号：US11015098

    申请日：2004-12-17

    申请人： Deepak Srivastava ,  Vidu Garg

    发明人： Deepak Srivastava ,  Vidu Garg

    IPC分类号： C12Q1/68 ,  C07H21/02

    CPC分类号： C12Q1/6883 ,  C07K14/47 ,  C12Q2600/156

    摘要： Human individuals at increased risk for vascular pathology are identified by determining whether the individuals' genome comprises a Notch1 allele predetermined to be associated with an increased risk for vascular pathology. Notch1 alleles are identified as being associated with increased risk for vascular pathology by detecting the presence of a same Notch allele in a plurality of persons with increased risk for vascular pathology.

    摘要翻译： 通过确定个体的基因组是否包含与血管病理学增加的风险相关的Notch1等位基因来鉴定人血管病变风险增加的人。 Notch1等位基因通过检测多个具有增加的血管病变风险的人的Notch等位基因的存在而被鉴定为与血管病变的风险增加相关。

    Fast and High-Throughput Search Engine for Materials for Lithium-Ion Batteries Using Quantum Simulations
    26.
    发明申请
    Fast and High-Throughput Search Engine for Materials for Lithium-Ion Batteries Using Quantum Simulations 审中-公开
    使用量子模拟的锂离子电池材料快速高通量搜索引擎

    公开(公告)号：US20090157369A1

    公开(公告)日：2009-06-18

    申请号：US12334170

    申请日：2008-12-12

    申请人： Jun Li ,  Deepak Srivastava

    发明人： Jun Li ,  Deepak Srivastava

    IPC分类号： G06G7/58

    CPC分类号： G16C10/00 ,  G16C60/00 ,  H01M4/485 ,  H01M4/505 ,  H01M4/525 ,  H01M10/0525

    摘要： Provided are methods and systems for determining the structure of a composite or solid solution material for an electrode in lithium-ion batteries. In one embodiment, a method is presented where a building-block database of hypothetical structures containing only one transition metal atom is constructed by use of quantum simulation. Then, a composite model set of structures containing two or more transition metal atoms is constructed by calculating a linear average of parent components from the building-block database of hypothetical structures to determine lattice constants and atomic coordinates of candidates. The composite model set is screened with a local order matrix to subclassify composite models into a subset, such that the composite models share the same property in local transition metal ordering. Still yet, a representative from each subset is selected and a quantum simulation on the representative models is performed to determine the structure of the material.

    摘要翻译： 提供了用于确定锂离子电池中的电极的复合材料或固溶体材料的结构的方法和系统。 在一个实施例中，提出了一种方法，其中通过使用量子模拟构建仅包含一个过渡金属原子的假想结构的构建块数据库。 然后，通过从假设结构的构建块数据库中计算母体成分的线性平均值来确定候选物的晶格常数和原子坐标来构建包含两个或更多个过渡金属原子的结构的复合模型集合。 复合模型集用局部顺序矩阵进行筛选，将复合模型分类为子集，使得复合模型在本地过渡金属排序中共享相同的属性。 仍然选择来自每个子集的代表，并且对代表性模型进行量子模拟以确定材料的结构。