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14 results found

pyLLE: a Fast and User Friendly Lugiato-Lefever Equation Solver

Data provided by  National Institute of Standards and Technology

We present the development of pyLLE, a freely accessible Lugiato-Lefever equation solver programmed in Python and Julia and optimized for the simulation of microresonator frequency combs. Examples illustrating its operation and performance are presented.

Tags: photonics,optics,frequency combs,python,julia,

Modified: 2022-07-29

Views: 0

Optimal Bayesian Experimental Design

Data provided by  National Institute of Standards and Technology

Python module "optbayesexpt" uses optimal Bayesian experimental design methods to control measurement settings in order to efficiently determine model parameters. Given a parametric model - analogous to a fitting function - Bayesian inference uses each measurement "data point" to refine model parameters. Using this information, the software suggests measurement settings that are likely to efficiently reduce uncertainties. A TCP socket interface allows the software to be used from experimental control software written in other programming languages.

Tags: GitHub pages template,experimental design,Bayesian,optbayesexpt,python,measurement,

Modified: 2022-07-29

Views: 0

SEDCORR: An Algorithm for Correcting Systematic Energy Deficits in the Atom Probe Mass Spectra

Data provided by  National Institute of Standards and Technology

SEDCORR is an open-source Python module designed to correct for the systematic energy deficits in atom probe mass spectra of electrically insulating samples. The assumption of the algorithm is that the mass spectrum for a dataset is conserved throughout the dataset and that any changes to the peak positions arise from an unknown slowly-fluctuating accelerating voltage. For computational speed, the unknown accelerating voltage is determined using a template matching FFT-based cross correlation method.

Tags: atom probe microscopy,insulator,mass spectra,energy deficit correction,python,FFT,

Modified: 2022-07-29

Views: 0

JARVIS: Joint Automated Repository for Various Integrated Simulations

Data provided by  National Institute of Standards and Technology

JARVIS (Joint Automated Repository for Various Integrated Simulations) is a repository designed to automate materials discovery using classical force-field, density functional theory, machine learning calculations and experiments. The Force-field section of JARVIS (JARVIS-FF) consists of thousands of automated LAMMPS based force-field calculations on DFT geometries.

Tags: Density functional theory,classical interatomic potential,force-field,python,JARVIS,MGI,MDCS,RESTAPI,automation,

Modified: 2022-07-29

Views: 0

FEASST: Free Energy and Advanced Sampling Simulation Toolkit

Data provided by  National Institute of Standards and Technology

The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free, open-source, modular program to conduct molecular and particle-based simulations with flat-histogram Monte Carlo and molecular dynamics methods. It is a software written in C++ and python which is made publicly available to aid in reproducibility. It is also provided as a service to the scientific community in which there are few , if any, Monte Carlo programs that support flat histogram methods and advanced sampling algorithms. This software is expected to be updated frequently with new methods.

Tags: monte carlo,molecular simulation,free energy,flat histogram,C++,python,

Modified: 2022-07-29

Views: 0

Source of the Refl1d program for modeling and analyzing neutron and X-ray reflectometry data, with the addition of distributed roughness capability.

Data provided by  National Institute of Standards and Technology

Source of the Refl1d program for modeling and analyzing neutron and X-ray reflectometry data, with the addition of distributed roughness capability.

Tags: neutron scattering,reflectometry,polarized,Bayesian,roughness,python,

Modified: 2022-07-29

Views: 0

pyPRISM: A Computational Tool for Liquid State Theory Calculations of Macromolecular Materials

Data provided by  National Institute of Standards and Technology

Polymer Reference Interaction Site Model (PRISM) theory describes the equilibrium spatial-correlations of liquid-like polymer systems including melts, blends, solutions, block copolymers, ionomers, liquid crystal forming polymers and nanocomposites. Using PRISM theory, one can calculate thermodynamic (e.g., second virial coefficients, Flory-Huggins interaction parameters, potentials of mean force) and structural (eg., pair correlation functions, structure factors) information for these macromolecular materials.

Tags: polymer,theory,liquid-state theory,python,polymer nanocomposite,polymer solution,X-ray scattering,neutron scattering,software,tool,computation,

Modified: 2022-07-29

Views: 0

multicomplex: C++ and Python code for multicomplex arithmetic

Data provided by  National Institute of Standards and Technology

The library multicomplex is an implementation of multicomplex algebra in C++ to allow for higher-order derivatives of numerical functions. Many (though not all) mathematical functions are implemented, allowing for calculation of derivatives (straight and mixed) to approximately numerical precision, which is difficult or impossible to achieve in conventional double precision

Tags: mathematics,multicomplex,derivatives,C++,python,

Modified: 2022-07-29

Views: 0

Simantha: Simulation for Manufacturing

Data provided by  National Institute of Standards and Technology

Simantha is a discrete event simulation package written in Python that is designed to model the behavior of discrete manufacturing systems. Specifically, it focuses on asynchronous production lines with finite buffers. It also provides functionality for modeling the degradation and maintenance of machines in these systems. Classes for five basic manufacturing objects are included: source, machine, buffer, sink, and maintainer. These objects can be defined by the user and configured in different ways to model various real-world manufacturing systems.

Tags: discrete-event simulation,manufacturing,production,maintenance,python,

Modified: 2022-07-29

Views: 0

Python tools for measuring filament defects in embedded 3D printing

Data provided by  National Institute of Standards and Technology

In embedded 3D printing, a nozzle is embedded into a support bath and extrudes filaments or droplets into the bath. This repository includes Python code for analyzing and managing images and videos of the printing process during extrusion of single filaments. The zip file contains the state of the code when the associated paper was submitted. The link to the GitHub page goes to version 1.0.0, which is the same as the code attached here. From there, you can also access the current state of the code.Associated with: L. Friedrich, R. Gunther, J.

Tags: python,digital image analysis,computer vision,3D printing,additive manufacturing,openCV,

Modified: 2022-07-29

Views: 0