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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

NIST Atomic Spectra Database - SRD 78

Data provided by  National Institute of Standards and Technology

This database provides access and search capability for NIST critically evaluated data on atomic energy levels, wavelengths, and transition probabilities that are reasonably up-to-date. The Atomic Spectroscopy Data Center has carried out these critical compilations. The Data Center is located in the Physical Measurement Laboratory at the National Institute of Standards and Technology (NIST).

Tags: cesium,chlorine,chromium,cobalt,columbium,copernicium,copper,curium,darmstadtium,database,deuterium,doubly-charged,dubnium,dysprosium,einsteinium,element,energy levels,erbium,europium,fermium,flerovium,fluorine,francium,gadolinium,gallium,germanium,gold,ground states,hafnium,hassium,helium,holmium,hydrogen,indium,iodine,ionization potentials,ionization-energies,ionization-limits,ionized-atoms,iridium,iron,mendelevium,mercury,molybdenum,multiply-charged,neodymium,neon,neptunium,neutral,nickel,niobium,nitrogen,nobelium,osmium,oxygen,palladium,phosphorus,platinum,plutonium,polonium,potassium,praseodymium,promethium,protactinium,quadruply-charged,radium,rhenium,rhodium,roentgenium,rubidium,ruthenium,rutherfordium,samarium,scandium,seaborgium,selenium,silicium,silicon,silver,singly-charged,sodium,spectra,spectral lines,spectroscopy,spectrum,strontium,sulfur,sulphur,tantalum,technetium,tellurium,terbium,thallium,thorium,thulium,tin,titanium,transition probabilities,triply-charged,tritium,tungsten,ununbium,ununhexium,ununoctium,ununpentium,ununquadium,ununseptium,ununtrium,unununium,uranium,vanadium,wavelengths,xenon,ytterbium,yttrium,zinc,zirconium,krypton,kurchatovium,lawrencium,lanthanum,lead,lithium,livermorium,lutetium,magnesium,manganese,meitnerium,Atomic,Atomic Spectroscopy,Radon,actinium,aluminium,aluminum,americium,antimony,argon,arsenic,astatine,atom,atomic physics,atomic property,atomic-ions,barium,berkelium,beryllium,bismuth,bohrium,boron,bromine,cadmium,calcium,californium,carbon,cerium,

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 131h Refined Cast Iron

Data provided by  National Institute of Standards and Technology

Standard Reference Material 131h Refined Cast Iron - This Standard Reference Material (SRM) is intended primarily for use in validation of chemical and instrumental methods of analysis. It can be used to validate value assignment of in-house reference materials and, if necessary, to calibrate carbon/sulfur analyzers. A unit of SRM 131h consists of a bottle containing 100 g of chips. This data is public in the Certificate of Analysis for this material.

Tags: low alloy steel,cast iron,carbon,sulfur,Standard Reference Material,SRM,SRM 131h,combustion,infrared detection,manufacturing specification,manufacturing,

Modified: 2024-02-22

Views: 0

SRM 2718a Green Petroleum Coke

Data provided by  National Institute of Standards and Technology

Standard Reference Material 2718a Green Petroleum Coke - This Standard Reference Material (SRM) is intended primarily for use in the calibration of apparatus and the evaluation of techniques used in the analysis of green (raw) petroleum coke and other materials of a similar matrix. It can be used to validate value assignment of in-house reference materials. A unit of SRM 2718a consists of 50 g of green petroleum coke ground to pass a 250 µm (60 mesh) sieve, homogenized, packaged in an amber glass bottle under an argon atmosphere, and then sealed in an aluminized bag.

Tags: SRM,Standard Reference Material,petroleum coke,sulfur,Energy,

Modified: 2024-02-22

Views: 0

SRM 1632d Trace Elements in Coal (Bituminous)

Data provided by  National Institute of Standards and Technology

Standard Reference Material 1632d Trace Elements in Coal (Bituminous) - This Standard Reference Material (SRM) is intended primarily for use in the evaluation of techniques used in the analysis of coals and materials of a similar matrix. A unit of SRM 1632d consists of 50 g of bituminous coal that was ground to pass a 250 µm (60 mesh) sieve, homogenized, bottled under an argon atmosphere, and sealed in an aluminized bag. This data is public in the Certificate of Analysis for this material.

Tags: SRM,Standard Reference Material,coal,sulfur,mercury,chlorine,trace elements,Energy,

Modified: 2024-02-22

Views: 0

SRM 1633c Trace Elements in Coal Fly Ash

Data provided by  National Institute of Standards and Technology

SRM 1633c Trace Elements in Coal Fly Ash - This Standard Reference Material (SRM) is intended for use in the evaluation of analytical methods for the determination of constituent elements in coal fly ash or materials of a similar matrix. SRM 1633c is a bituminous coal fly ash that was sieved through a nominal sieve opening of 74 µm (200 mesh) and then blended to assure homogeneity. A unit of SRM 1633c consists of 75 g of powdered material. This data is public in the Certificate of Analysis for this material.

Tags: SRM,Standard Reference Material,coal fly ash,sulfur,mercury,chlorine,trace elements,Energy,

Modified: 2024-02-22

Views: 0

SRM 1635a Trace Elements in Coal (Subbituminous)

Data provided by  National Institute of Standards and Technology

SRM 1635a Trace Elements in Coal (Subbituminous) - This Standard Reference Material (SRM) is intended primarily for the evaluation of techniques used in the analysis of coals and materials of a similar matrix. A unit of SRM 1635a consists of 50 g of subbituminous coal that was ground to pass a 250 µm (60 mesh) sieve, homogenized, bottled under an argon atmosphere, and sealed in an aluminized bag. This data is public in the Certificate of Analysis for this material.

Tags: SRM,Standard Reference Material,coal,sulfur,mercury,chlorine,trace elements,Energy,

Modified: 2024-02-22

Views: 0

SRM 2682c Subbituminous Coal (Nominal Mass Fraction 0.5 % Sulfur)

Data provided by  National Institute of Standards and Technology

Standard Reference Material 2682c Subbituminous Coal (Nominal Mass Fraction 0.5 % Sulfur) - This Standard Reference Material (SRM) is intended primarily for use in the evaluation of techniques used in the analysis of coals and materials of a similar matrix. A unit of SRM 2682c consists of 50 g of subbituminous coal that was ground to pass a 250 µm (60 mesh) sieve, homogenized, packaged in an amber glass bottle under an argon atmosphere, and then sealed in an aluminized bag. This data is public in the Certificate of Analysis for this material.

Tags: SRM,Standard Reference Material,coal,sulfur,mercury,chlorine,Energy,

Modified: 2024-02-22

Views: 0