METHOD OF IDENTIFYING PROPERTIES OF MOLECULES UNDER OPEN BOUNDARY CONDITIONS

    公开(公告)号:US20230170054A1

    公开(公告)日:2023-06-01

    申请号:US18160578

    申请日:2023-01-27

    CPC classification number: G16C10/00 G16C20/30 G06F30/28 G06F17/18 G06F2113/08

    Abstract: A method of determining a property of a system, the system including at least one molecule in a solvent, comprises: generating a quantum model of the system, the quantum model including a device region and a lead region, the device region being spherical, paraboloid, cubic or arbitrary in shape and encompassing the at least one molecule and a portion of the solvent of the system, the lead region encompassing a region of the solvent surrounding the device region, determining a first property of the device region by solving a first quantum equation for the device region, determining the first property of the lead region by solving the first quantum equation under open boundary conditions for the lead region, and combining the first property of the device region with the first property of the lead region to arrive at a total first property for the system.

    SYSTEMS AND METHODS OF SIMULATING DRAG-INDUCED MULTISCALE PHENOMENA

    公开(公告)号:US20230169242A1

    公开(公告)日:2023-06-01

    申请号:US17537230

    申请日:2021-11-29

    Inventor: Yichen CHEN Qi GUO

    CPC classification number: G06F30/28 G06F30/25 G06F2113/08

    Abstract: An electronic apparatus performs a method of simulating visual effect of avalanche of media. The method includes: interpolating particle information of the media to a grid; simulating advection of fluid from the media; applying a computed drag force to the interpolated particle information on the grid and to the simulated advection of the fluid; interpolating updated particle information from the grid; simulating fluid projection from the media; determining whether a fluid generation condition is satisfied; in response to the determination that the fluid generation condition is satisfied: generating additional fluid from the media; and applying a fluid decaying scheme.

    SIMULATION METHOD, SIMULATION APPARATUS, STORAGE MEDIUM, FILM FORMING METHOD, AND METHOD OF PRODUCING CURED PRODUCT

    公开(公告)号:US20240346209A1

    公开(公告)日:2024-10-17

    申请号:US18754396

    申请日:2024-06-26

    CPC classification number: G06F30/23 G03F7/0002 G06F2113/08

    Abstract: The present invention provides a simulation method of predicting a behavior of a curable composition in a process of bringing a plurality of droplets of the curable composition arranged on a first member into contact with a second member and forming a film of the curable composition in a space between the first member and the second member, wherein for each of the plurality of droplets of the curable composition, a distance from a representative point of the droplet to a point on a contour of the droplet is obtained so as to match the area of the inner region of the contour to an area of the droplet obtained from a volume of the droplet and a distance between the first member and the second member in accordance with a change of the distance between the first member and the second member.

    SYSTEMS AND METHODS FOR PROVIDING OPTIMAL PROCESS PARAMETERS FOR FLUID BED GRANULATION SYSTEMS

    公开(公告)号:US20240342673A1

    公开(公告)日:2024-10-17

    申请号:US18300905

    申请日:2023-04-14

    CPC classification number: B01J2/16 G06F30/28 G06F2113/08

    Abstract: A user interface (UI) for providing optimized parameters for a fluid bed granulation process may include a first user input field for receiving intrinsic properties of an input powder, a second user input field for receiving granulation requirements for granules formed from the input powder during the fluid bed granulation process, a third user input field for receiving operational capabilities of a fluid bed granulation system, and an output field configured to display optimal process parameters for the fluid bed granulation system. The optimal process parameters may be determined by thermodynamically modeling granulation of the input powder in the fluid bed granulation system.

    GROUNDWATER REMEDIATION WELL GROUP LAYOUT METHOD AND APPARATUS, COMPUTER DEVICE, AND STORAGE MEDIUM

    公开(公告)号:US20240265170A1

    公开(公告)日:2024-08-08

    申请号:US18510418

    申请日:2023-11-15

    CPC classification number: G06F30/20 G06F2111/04 G06F2111/10 G06F2113/08

    Abstract: A method of groundwater remediation well group layout includes: determining N groups of random data and N groups of well position coordinates by means of random and preset constraint conditions of multi-objective optimization NSGA-II algorithm, inputting each group of random data into target function, and calculating fund data and time data respectively corresponding to each group of random data; inputting each group of random data and the corresponding water well position coordinates into groundwater flow field distribution and solute transport model, so that the pollutant concentration after groundwater remediation is obtained through simulation; determining the random data with the pollutant concentration less than or equal to the repair target value after the polluted groundwater is repaired and the corresponding water well position coordinates as the hydraulic control and water and soil cooperative well group layout parameters of the polluted groundwater.

    Numerical experimental method for urban waterlogging

    公开(公告)号:US12056427B1

    公开(公告)日:2024-08-06

    申请号:US18516988

    申请日:2023-11-22

    CPC classification number: G06F30/28 G06F2111/10 G06F2113/08

    Abstract: A numerical experimental method for urban waterlogging includes the following steps: acquiring raw data of an urban underlying surface; batch-processing urban waterlogging modeling data; batch-running urban waterlogging numerical experimental models; batch-processing urban waterlogging numerical experimental results; and displaying and analyzing the batch-processed urban waterlogging numerical experimental results. The numerical experimental method constructs a numerical experimental process, which can perform an unlimited number of repeated experiments in the numerical simulation process of urban waterlogging and achieve batch-running of data preprocessing, model operation, and data post-processing processes. Therefore, the numerical experimental method has the advantages of high efficiency, high convenience, high reliability, and low cost.

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