Screening solid state ionic conductors for high ionic conductivity

    公开(公告)号:US09904772B2

    公开(公告)日:2018-02-27

    申请号:US14536506

    申请日:2014-11-07

    IPC分类号: H01M10/42 G06F19/00

    摘要: Non-normal statistics applied to diffusivity calculations accelerate screening of ionic conductors for electrochemical devices such as electric storage batteries, fuel cells, and sensors. Displacements of atomic species within a crystalline structure for a candidate ionic conductor material are analyzed using a Skellam distribution optionally combined with Gaussian noise to calculate values for the standard deviation, upper error bound, and lower error bound for predicted values of diffusivity (D). When the predicted values of D have sufficient statistical precision, the diffusivity calculation is terminated and the calculated diffusivity is compared to a threshold value of diffusivity. When the threshold has been exceeded, the candidate ionic conductor may be listed as a preferred good conductor. When the calculated diffusivity fails to exceed the threshold, the material may be listed as a poor conductor and may be eliminated from further consideration.

    SCREENING SOLID STATE IONIC CONDUCTORS FOR HIGH IONIC CONDUCTIVITY
    7.
    发明申请
    SCREENING SOLID STATE IONIC CONDUCTORS FOR HIGH IONIC CONDUCTIVITY 有权
    筛选用于高离子电导率的固体状态离子导体

    公开(公告)号:US20150204809A1

    公开(公告)日:2015-07-23

    申请号:US14536506

    申请日:2014-11-07

    IPC分类号: G01N27/02

    摘要: Non-normal statistics applied to diffusivity calculations accelerate screening of ionic conductors for electrochemical devices such as electric storage batteries, fuel cells, and sensors. Displacements of atomic species within a crystalline structure for a candidate ionic conductor material are analyzed using a Skellam distribution optionally combined with Gaussian noise to calculate values for the standard deviation, upper error bound, and lower error bound for predicted values of diffusivity (D). When the predicted values of D have sufficient statistical precision, the diffusivity calculation is terminated and the calculated diffusivity is compared to a threshold value of diffusivity. When the threshold has been exceeded, the candidate ionic conductor may be listed as a preferred good conductor. When the calculated diffusivity fails to exceed the threshold, the material may be listed as a poor conductor and may be eliminated from further consideration.

    摘要翻译: 应用于扩散计算的非正态统计加速了电化学装置(如蓄电池,燃料电池和传感器)的离子导体的筛选。 使用可选地与高斯噪声组合的Skellam分布来分析用于候选离子导体材料的晶体结构内的原子物质的位移,以计算扩散系数(D)的标准偏差,上误差界限和下限误差界限的值。 当D的预测值具有足够的统计精度时,终止扩散计算,并将计算出的扩散系数与扩散系数的阈值进行比较。 当超过阈值时,可将候选离子导体列为优选导体。 当计算的扩散系数不能超过阈值时,材料可能被列为不良导体,并可能被进一步考虑。