The patent badge is an abbreviated version of the USPTO patent document. The patent badge does contain a link to the full patent document.
The patent badge is an abbreviated version of the USPTO patent document. The patent badge covers the following: Patent number, Date patent was issued, Date patent was filed, Title of the patent, Applicant, Inventor, Assignee, Attorney firm, Primary examiner, Assistant examiner, CPCs, and Abstract. The patent badge does contain a link to the full patent document (in Adobe Acrobat format, aka pdf). To download or print any patent click here.
Patent No.:
Date of Patent:
Aug. 22, 2023
Filed:
Mar. 18, 2020
Lawrence Livermore National Security, Llc, Livermore, CA (US);
Regents of the University of California, Oakland, CA (US);
Lawrence Livermore National Security, LLC, Livermore, CA (US);
Regents of the University of California, Oakland, CA (US);
Abstract
A molecular dynamics system employing a spliced soft-core potential (the 'MD/SSCP') facilitates studying the arrangement of particles in an enclosure and/or near an interface. In some embodiments, the MD/SSCP initializes a three-dimensional representation containing the enclosure and the particles in a first arrangement. The MD/SSCP conducts a first simulation to transition the representation to a second arrangement, during which the particles are allowed to move through a wall of the enclosure while the SSCP is unengaged. The MD/SSCP conducts a second simulation to transition the representation to a third arrangement, during which it becomes more difficult for the particles to move through the wall of the enclosure while the SSCP is gradually engaged. The MD/SSCP conducts a third simulation to transition the representation to a fourth arrangement of the particles, during which it becomes almost impossible for the particles to move through the wall of the enclosure.