Computationally screening the stability of battery electrode materials with mixtures of redox couple elements

    公开(公告)号:US11205807B2

    公开(公告)日:2021-12-21

    申请号:US14161440

    申请日:2014-01-22

    Abstract: A mixture stability criterion asserts that a mixture of at least two redox elements in a crystal lattice will be unstable during charge and discharge cycles unless a set of charged ground state configurations at a specified value of a mixing ratio for the redox elements and a set of discharged ground state configurations at the same value of mixing ratio both consist of the same derivative superstructures. All members of the charged ground state set and all members of the discharged ground state set are within a same energy threshold value of the lowest-energy member of each set. The value for the energy threshold may represent a value of thermal energy calculated with Boltzmann's constant. Examples of alternative embodiments include a method for implementing the mixture stability criterion, computer hardware adapted to perform a method embodiment, and computer-readable media including a method embodiment.

    COMPUTATIONALLY SCREENING THE STABILITY OF BATTERY ELECTRODE MATERIALS WITH MIXTURES OF REDOX COUPLE ELEMENTS
    5.
    发明申请
    COMPUTATIONALLY SCREENING THE STABILITY OF BATTERY ELECTRODE MATERIALS WITH MIXTURES OF REDOX COUPLE ELEMENTS 审中-公开
    电池电极材料稳定性的计算方法与氧化铝复合材料的混合物

    公开(公告)号:US20150204924A1

    公开(公告)日:2015-07-23

    申请号:US14161440

    申请日:2014-01-22

    CPC classification number: H01M10/48 H01M10/4285

    Abstract: A mixture stability criterion asserts that a mixture of at least two redox elements in a crystal lattice will be unstable during charge and discharge cycles unless a set of charged ground state configurations at a specified value of a mixing ratio for the redox elements and a set of discharged ground state configurations at the same value of mixing ratio both consist of the same derivative superstructures. All members of the charged ground state set and all members of the discharged ground state set are within a same energy threshold value of the lowest-energy member of each set. The value for the energy threshold may represent a value of thermal energy calculated with Boltzmann's constant. Examples of alternative embodiments include a method for implementing the mixture stability criterion, computer hardware adapted to perform a method embodiment, and computer-readable media including a method embodiment.

    Abstract translation: 混合物稳定性标准确定在充电和放电循环期间,晶格中的至少两个氧化还原元素的混合物将不稳定,除非在氧化还原元素的混合比的指定值的一组充电基态配置下, 相同混合比值的放电基态配置都由相同的导数上层结构组成。 充电基态的所有成员和放电基态的所有成员都在每组的最低能量成员的相同的能量阈值内。 能量阈值的值可以表示用波尔兹曼常数计算的热能值。 替代实施例的示例包括用于实现混合物稳定性标准的方法,适于执行方法实施例的计算机硬件以及包括方法实施例的计算机可读介质。

    COMPUTING SYSTEM WITH HIGH-THROUGHPUT TOPICAL ANALYSIS FOR SOLID STATE ELECTROLYTE MECHANISM AND METHOD OF OPERATION THEREOF
    6.
    发明申请
    COMPUTING SYSTEM WITH HIGH-THROUGHPUT TOPICAL ANALYSIS FOR SOLID STATE ELECTROLYTE MECHANISM AND METHOD OF OPERATION THEREOF 审中-公开
    用于固态电解质机构的高通量局部分析的计算系统及其操作方法

    公开(公告)号:US20130304434A1

    公开(公告)日:2013-11-14

    申请号:US13893218

    申请日:2013-05-13

    CPC classification number: G06F17/5009 G06T17/20 G16C20/30

    Abstract: A computing system includes: a voronoi tessellation formation module configured to form a voronoi tessellation for a solid separator; a modified tessellation generation module, coupled to the voronoi tessellation formation module, configured to: generate a modified tessellation by removing from the voronoi tessellation a node, an edge, or a combination thereof associated with a cation polygon except where the edge is less than an exception threshold, determine a channel dimensionality, a bottleneck size, a critical radius, or a combination thereof based on the modified tessellation; and a viability determination module, coupled to the modified tessellation generation module, configured to determine a viability of the solid separator based on the channel dimensionality, the bottleneck size, the critical radius, or a combination thereof.

    Abstract translation: 计算系统包括:voronoi镶嵌形成模块,被配置为形成用于固体分离器的voronoi镶嵌; 修改的镶嵌生成模块,其耦合到所述voronoi镶嵌形成模块,被配置为:通过从所述voronoi镶嵌中除去与阳离子多边形相关联的节点,边缘或其组合除了边缘小于 异常阈值,基于修改的细分,确定信道维数,瓶颈大小,临界半径或其组合; 以及耦合到所述修改的镶嵌生成模块的生存力确定模块,被配置为基于所述通道维度,所述瓶颈尺寸,所述临界半径或其组合来确定所述固体分离器的存活力。

    Heterogeneous electrical energy storage system

    公开(公告)号:US10343552B2

    公开(公告)日:2019-07-09

    申请号:US15428018

    申请日:2017-02-08

    Abstract: A heterogeneous electrical energy storage system (HESS) is managed by determining a power demand of a dynamic electrical power load in a system having multiple rechargeable energy storage components, each of the energy storage components having a respective capacity, energy delivery rate, energy density, specific energy, and cycle characteristic. In response to determining the power demand of the electrical power load, one or more of the energy storage components are discharged to supply power to the electrical power load in accordance with at least one of: a respective remaining capacity measured for at least some of the energy storage components, and the power demand of the electrical power load relative to one or more respective rate limits currently applied to the energy storage components.

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