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SRM 3133 Mercury (Hg) Standard Solution Lot No. 160921
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 mercury. A unit of SRM 3133 consists of five 10 mL sealed borosilicate glass ampoules of an acidified aqueous solution prepared gravimetrically to contain a known mass fraction of mercury. The solution contains nitric acid at an approximate mass fraction of 10 %. This data is public in the Certificate of Analysis for this material.
Tags: mercury,pure materials,cations,metals,single element solutions,spectrometry,Advanced Materials,
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
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
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
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: 2024-02-22
Views: 0
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: 2024-02-22
Views: 0
Albatross Species Chemical Database and Annotated Bibliography
Data provided by National Institute of Standards and Technology
Database and annotated bibliography of contaminants in tissues from albatross (Family Diomedeidae) species. Database is saved as current Microsoft Access 365 .accdb file and a backward compatible to Access 2000 .mdb file and a Microsoft Excel .xlsx file which has the database output information, introduction with description of headers, and some derived data. A free viewer for Excel is at: https://www.microsoft.com/en-us/p/xlsx-viewer-free/9nblggh6hbf4?activet….
Tags: seabird,tissues,PAHs,PBDEs,PCBs,PCDDs,PCDF,perflourinated acids,phenols,toxicology pesticides,mercury,trace elements,heavy metals,organic,inorganic,chemistry,stable isotopes,Environment and Climate,
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
NIST Handbook of Basic Atomic Spectroscopic Data - SRD 108
Data provided by National Institute of Standards and Technology
This handbook provides a selection of the most important and frequently used atomic spectroscopic data in an easily accessible format. The compilation includes energy levels, ionization energies, wavelengths, line intensities, transition probabilities, and spectrum assignments for the neutral and singly-ionized atoms of all elements hydrogen through einsteinium (Z = 1-99), given in separate tables for each element. It includes approximately 12,000 spectral lines of all elements. Bibliographic references are provided for all data.
Tags: actinium,aluminum,americium,antimony,argon,arsenic,astatine,atom,atomic data,Atomic Ions,atomic physics,atomic property,Atomic Spectroscopy,Atomic Weights,barium,berkelium,beryllium,bismuth,bohrium,boron,bromine,cadmium,calcium,californium,carbon,cerium,cesium,chlorine,chromium,cobalt,copper,curium,dysprosium,einsteinium,element,Elemental Data,erbium,europium,fluorine,francium,gadolinium,gallium,germanium,gold,hafnium,helium,holmium,hydrogen,indium,iodine,Ionized Atoms,iridium,iron,Isotopic Composition,krypton,lanthanum,lead,lithium,lutetium,magnesium,manganese,mercury,molybdenum,neodymium,neon,neptunium,Neutral Atoms,nickel,niobium,nitrogen,osmium,oxygen,palladium,phosphorus,platinum,plutonium,polonium,potassium,praseodymium,promethium,protactinium,radium,Radon,rhenium,rhodium,rubidium,ruthenium,samarium,scandium,selenium,silicon,silver,Singly Charged,Singly Ionized,sodium,spectrum,strontium,sulfur,tantalum,technetium,tellurium,terbium,thallium,thorium,thulium,tin,titanium,tungsten,vanadium,xenon,ytterbium,yttrium,zinc,zirconium,atomic energy levels,atomic spectra,atomic spectral lines,ionization energy,ionization potential,wavelengths,
Modified: 2024-02-22
Views: 0
NIST Atomic Spectral Line Broadening Bibliographic Database
Data provided by National Institute of Standards and Technology
This interactive database, maintained by the NIST Atomic Spectroscopy Data Center, contains more than 6000 references, dating from 1889 through current year and is updated regularly in intervals between one and four weeks. These references pertain to publications that include numerical data, general information, comments, and reviews on atomic line broadening and shifts.
Tags: actinium,aluminium,aluminum,americium,antimony,argon,arsenic,astatine,atom,atomic data,Atomic Ions,atomic physics,atomic property,Atomic Spectroscopy,barium,berkelium,beryllium,Bibliographic database,Bibliography,bismuth,bohrium,boron,bromine,cadmium,calcium,californium,carbon,cerium,cesium,chlorine,chromium,cobalt,columbium,copernicium,copper,curium,darmstadtium,deuterium,Doubly Charged,Doubly Ionized,dubnium,dysprosium,einsteinium,elements,erbium,europium,fermium,flerovium,fluorine,francium,gadolinium,gallium,germanium,gold,hafnium,hassium,helium,holmium,hydrogen,indium,iodine,Ionized Atoms,iridium,iron,krypton,kurchatovium,lanthanum,lawrencium,lead,Line broadening,Literature,lithium,livermorium,lutetium,magnesium,manganese,meitnerium,mendelevium,mercury,molybdenum,Multiply Charged,Natural broadening,neodymium,neon,neptunium,Neutral Atoms,nickel,niobium,nitrogen,nobelium,osmium,oxygen,palladium,phosphorus,Plasma diagnostics,platinum,plutonium,polonium,potassium,praseodymium,Pressure shift,promethium,protactinium,Quadruply Charged,Quadruply Ionized,radium,Radon,Resonance broadening,rhenium,rhodium,roentgenium,rubidium,ruthenium,rutherfordium,samarium,scandium,seaborgium,Searchable,selenium,silicium,silicon,silver,Singly Charged,Singly Ionized,sodium,Spectral line profile,Spectral line shape,Spectral line shift,Spectral line width,spectrum,Stark broadening,Stark shift,strontium,sulfur,sulphur,tantalum,technetium,tellurium,terbium,thallium,thorium,thulium,tin,titanium,Triply Charged,Triply Ionized,tritium,tungsten,uranium,vanadium,xenon,ytterbium,yttrium,Zeeman broadening,zinc,zirconium,van der Waals broadening,
Modified: 2024-02-22
Views: 0
