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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: 2024-02-22
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: 2024-02-22
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. Some of the properties included in JARVIS-FF are energetics, elastic constants, surface energies, defect formations energies and phonon frequencies of materials.
Tags: Density functional theory,classical interatomic potential,force-field,python,JARVIS,MGI,MDCS,RESTAPI,automation,
Modified: 2024-02-22
Views: 0
SRM 3156 Tellurium (Te) Standard Solution Lot No. 140830
Data provided by National Institute of Standards and Technology
This Standard Reference Material (SRM) is intended for use as a primary calibration standard for the quantitative determination of tellurium. A unit of SRM 3156 consists of five 10 mL sealed borosilicate glass ampoules of an acidified aqueous solution prepared gravimetrically to contain a known mass fraction of tellurium. The solution contains hydrochloric acid at a volume fraction of approximately 10 %, which is equivalent to an amount of substance concentration (molarity) of approximately 1.2 mol/L. This data is public in the Certificate of Analysis for this material.
Tags: tellurium,pure materials,cations,metals,single element solutions,spectrometry,Advanced Materials,
Modified: 2024-02-22
Views: 0
SRM 3163 Tungsten (W) Standard Solution, Lot No. 140606
Data provided by National Institute of Standards and Technology
This Standard Reference Material (SRM) is intended for use as a primary calibration standard for the quantitative determination of tungsten. A unit of SRM 3163 consists of 50 mL of an acidified aqueous solution prepared gravimetrically to contain a known mass fraction of tungsten in a high-density polyethylene bottle sealed in an aluminized bag.
Tags: tungsten,pure materials,cations,single-element solutions,spectrometry,Biosciences and Health,
Modified: 2024-02-22
Views: 0
SRM 3104a Barium (Ba) Standard Solution Lot No. 140909
Data provided by National Institute of Standards and Technology
This Standard Reference Material (SRM) is intended for use as a primary calibration standard for the quantitative determination of barium. A unit of SRM 3104a consists of five 10 mL sealed borosilicate glass ampoules of an acidified aqueous solution prepared gravimetrically to contain a known mass fraction of barium. The solution contains nitric acid at a volume fraction of approximately 1 %, which is equivalent to a concentration (molarity) of approximately 0.16 mol/L. This data is public in the Certificate of Analysis for this material.
Tags: barium,pure materials,cations,metals,single element solutions,spectrometry,Advanced Materials,
Modified: 2024-02-22
Views: 0
SRM 3110 Cerium (Ce) Standard Solution Lot No. 160830
Data provided by National Institute of Standards and Technology
This Standard Reference Material (SRM) is intended for use as a primary calibration standard for the quantitative determination of cerium. A unit of SRM 3110 consists of five 10 mL sealed borosilicate glass ampoules of an acidified aqueous solution prepared gravimetrically to contain a known mass fraction of cerium. The solution contains nitric acid at a mass fraction of approximately 16 %. This data is public in the Certificate of Analysis for this material.
Tags: cerium,pure materials,cations,metals,single element solutions,spectrometry,Advanced Materials,
Modified: 2024-02-22
Views: 0
SRM 3120a Germanium (Ge) Standard Solution Lot No. 080429
Data provided by National Institute of Standards and Technology
This Standard Reference Material (SRM) is intended for use as a primary calibration standard for the quantitative determination of germanium. A unit of SRM 3120a consists of 50 mL of a single element solution in a high density polyethylene bottle sealed in an aluminized bag. The solution was prepared gravimetrically to contain a known mass fraction of germanium. The solution contains nitric acid at a concentration of approximately 1.6 mol/L and hydrofluoric acid at a concentration of approximately 0.6 mol/L. This data is public in the Certificate of Analysis for this material.
Tags: germanium,pure materials,cations,metals,single element solutions,spectrometry,Advanced Materials,
Modified: 2024-02-22
Views: 0
SRM 3122 Hafnium (Hf) Standard Solution Lot No. 151120
Data provided by National Institute of Standards and Technology
This Standard Reference Material (SRM) is intended for use as a primary calibration standard for the quantitative determination of hafnium. A unit of SRM 3122 consists of 50 mL of an acidified aqueous solution prepared gravimetrically to contain a known mass fraction of hafnium in a high density polyethylene bottle sealed in an aluminized bag. The solution contains approximately 8 % nitric acid (volume fraction) and approximately 1 % hydrofluoric acid (volume fraction), equivalent to amount of substance concentrations (molarities) of 1.3 mol/L and 0.3 mol/L, respectively.
Tags: hafnium,pure materials,cations,metals,single element solutions,spectrometry,Advanced Materials,
Modified: 2024-02-22
Views: 0
SRM 3127a Lanthanum (La) Standard Solution Lot No. 151030
Data provided by National Institute of Standards and Technology
This Standard Reference Material (SRM) is intended for use as a primary calibration standard for the quantitative determination of lanthanum. A unit of SRM 3127a consists of five 10 mL sealed borosilicate glass ampoules of an acidified aqueous solution prepared gravimetrically to contain a known mass fraction of lanthanum. The solution contains nitric acid at a volume fraction of approximately 10 %, equivalent to an amount of substance concentration (molarity) of approximately 1.6 mol/L. This data is public in the Certificate of Analysis for this material.
Tags: lanthanum,pure materials,cations,metals,single element solutions,spectrometry,Advanced Materials,
Modified: 2024-02-22
Views: 0