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.

A version of the Materials Data Vocabulary structured as Simple Knowledge Organization System (SKOS). The XML was originally created by the TemaTres software. This vocabulary describes the applicability to material science of records in the NIST Materials Resource Registry (NMRR - https://materials.registry.nist.gov/). The NMRR allows for the registration of materials resources, bridging the gap between existing resources and the end users.

All the data in this project are generated running Density Functional (DFT) simulation either on NIST computer clusters of through our collaborators at University of Florida. The final data consist in relaxed atomic structures and corresponding energetic, mechanical, electronic and phonon properties. The metadata consist in the initial and relaxed structures, the description of the code, of the k points and of all the parameters used in running the simulations (energy or real space cutoff, type of minimization, occupation, etc.).

The data is from two series of compartment fire experiments in which a natural gas burner is positioned in a corner, or against a wall, or inside a steel cabinet, to assess the effects on the plume and compartment temperatures. The measurements consist of one dimensional vertical thermocouple arrays to measure the hot gas layer temperature and height, and a three dimensional thermocouple array to measure the temperature of the fire plume as the burner is moved away from the corner or wall.

This is tomography data as acquired using a commercial X-ray tomography instrument. We obtained reconstructions of a graded-index optical fiber with voxels of edge length 1.05 µm at 12 tube voltages. The fiber manufacturer created a graded index in the central region by varying the germanium concentration from a peak value in the center of the core to a very small value at the core-cladding boundary. Operating on 12 tube voltages, we show by a singular value decomposition that there are only two singular vectors with significant weight.

An advanced approach to flexible manufacturing is to move robotic manipulators (also referred to as industrial arms), using an AGV or mobile robot, between workstations. This integrated system is referred to as a mobile manipulator. Prior to industrial acceptance and standards development for mobile manipulators, users of these new systems will expect manufacturers to provide real performance data to guide their procurement and assure suitability for given application tasks.

Random numbers are an important resource for applications such as numerical simulation and secure communication. However, it is difficult to certify whether a physical random number generator is truly unpredictable. Here, we exploit the phenomenon of quantum nonlocality in a loophole-free photonic Bell test experiment for the generation of randomness that cannot be predicted within any physical theory that allows one to make independent measurement choices and prohibits superluminal signaling.

This data set consist of two representations of the electron-induced copper k-alpha x-ray emission spectrum. One file contains rebinned counting data, and is close to 'raw'. The second file contains a least-squares spline of the data, which should be a highly useful representation for computational purposes.

Temperature profiles of acrylonitrile butadiene styrene (ABS) filament during material extrusion additive manufacturing. Printing temperature and velocities cover the full "printable" range of the ABS filament and are corrected for reflected infrared photons. The profile of the active printing layer and two sub-layers are included. See the associated publication for the full experimental details.

This data is provided as a supplement to NASCTN Report 1 (NIST Technical Note 1952), LTE Impacts on GPS. For details on the types of tests performed and data processing, see the test report.