MCNP Output File Conversion [Slides]
The ASCII MCNP output file is converted to an interactive PDF using legacy printer control characters.
97 MATHEMATICS AND COMPUTING↗
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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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LDRD Quarterly Highlights (FY24 Q4)
This newsletter, published quarterly, features LDRD and SDRD work done by Lawrence Livermore, Los Alamos, Nevada National Security Site and Sandia. To see a PDF with all articles referenced in this newsletter or review past issues, visit NNSA-LDRD.lanl.gov and click on the Quarterly Highlights tab.
36 MATERIALS SCIENCE↗
Justice Underpinning Science and Technology Research (JUST-R) Offline Tool: A Tool for Guiding Researchers in Addressing Energy Justice Considerations in Early-Stage Research
The Justice Underpinning Science and Technology Research (JUST-R) Metrics Framework is a set of metrics for assessing the energy justice implications of technologies that are currently under research and development (R&D). The JUST-R Metrics Framework guides researchers through an analysis of the many facets of their research processes, from material inputs to knowledge sources, that may contribute to energy injustice both during the research period and when the technology is scaled. This JUST-R Offline Tool consists of an Excel file and PDF guide to aid researchers, engineers, and project managers in their application of the JUST-R Metrics Framework. This tool enables researchers to 1) evaluate the baseline energy justice implications of their research; 2) develop justice-oriented changes to the research process; and 3) track the implementation of proposed changes. The metrics included in the framework are sorted into five aspects of research: Team Dynamics, Sources & Inputs, Processes & Protocols, Waste & Hazards, and Results & Dissemination. The JUST-R Tool can be found here: https://www.nrel.gov/analysis/just-r.html.
29 ENERGY PLANNING, POLICY, AND ECONOMY↗
Investigating the Transverse Structure of Hadrons Using Parton Pseudodistributions
Within the pseudo-PDF framework, we investigate the perturbative contributions to correlators that are used to study transverse momentum dependent parton distributions (TMDs) on the lattice. Our results contain the full perturbative corrections which arise as artifacts from performing the calculation for a Euclidean separation between the parton fields, as well as the corrections which yield the evolution equations for the TMDs. This gives a path to extraction of the genuine non-perturbative features of the three-dimensional structure of the hadrons from lattice calculations.
Santiago, Melvin Gabriel [Old Dominion Univ., Norf↗
HIV Molecular Immunology 2025
HIV Molecular Immunology is a companion volume to HIV Sequence Compendium. This publication, the 2025 edition, is the PDF version of Los Alamos Na tional Laboratory’s web-based HIV Molecular Immunology Database (https://www.hiv.lanl.gov/content/ immunology/). The web interface for this relational database has many search interfaces for HIV immunological in formation, as well as interactive tools to help immunologists design reagents and interpret their results.
59 BASIC BIOLOGICAL SCIENCES↗
LHC Event Generation in the Exascale Era
MCFM is a dedicated Monte-Carlo simulation program for collider phenomenology at highest energies. Designed during the Tevatron era, it has successfully incorporated the latest developments needed for LHC precision calculations and remained on the forefront of collider phenomenology. The Fortran code includes interfaces to modern PDF and loop reduction libraries but has been unchanged structurally compared to the earlier versions. Parallel computing has been enabled using OpenMP and MPI. MCFM provides numerically highly stable one-loop amplitudes and superior phase-space efficiency, leading to excellent performance in NXLO calculations using jettiness or qT subtraction techniques for IR regularization.
Campbell, John [Fermilab]↗
Basin-Scale Relicensing Opportunity
This dataset contains 1,261 hydropower facilities with associated Federal Energy Regulatory Commission (FERC) relicensing metrics. Anticipated FERC license renewal dates are summarized by river reach for observing areas of opportunities for basin-wide collaboration on environmental mitigations. Identifying rivers and basins with facilities that have similar anticipated Federal Energy Regulatory Commission (FERC) relicensing dates may be one potential indicator that multiple licensees within the same basin may be willing to collaborate on a basin-scale relicensing effort. The hydropower relicensing process requires long-term resource allocation by agencies, hydropower owner/operators, non-governmental organizations, and tribal, state, and federal governments. Basin-scale hydropower relicensing has begun to receive attention as a potential solution for reducing licensing timelines, costs, and uncertainty which can provide benefits to a broad spectrum of participants in the licensing process. This dataset contains one a data file in comma separated (*.csv) format, a data dictionary in *.csv format, and a user guide in *.pdf format. These data are also available as an interactive web map available at:
13 HYDRO ENERGY↗
Interpolating the ‘t Hooft model between Instant and Light-Front dynamics in the Coulomb Gauge
The 1+1D model of quantum chromodynamics (QCD) in the infinite number of colors, or 't Hooft model, can be interpolated between the instant form dynamics (IFD) and the light-front dynamics (LFD) using an interpolation parameter 0 (IFD) ≤ δ ≤ π/4 (LFD). This was realized in the interpolating axial gauge which links the axial gauge (A 1 = 0) in IFD and the light-front gauge (A + = 0) [1]. In this presentation, we discuss the corresponding realization in the interpolating Coulomb gauge which links the temporal gauge (A 0 = 0) in IFD and the light-front gauge (A + = 0) and its benefit of resolving the issue associated with the absence of the conjugate field to the gauge field A 0 in the axial gauge. In both gauges, all degrees of freedom are physical making these gauge choices ideal for finding the bound-state equations and for renormalizability. Although the gauge independence of the physical observables such as the meson mass spectra following Regge trajectories may be guaranteed due to the gauge symmetry of QCD, the realization and interpretation of the identical physical results may depend on the gauge choices. Here, we discuss such difference in the realization of the confinement phenomena ala linear potential in the two different gauges, Coulomb vs. Axial, and highlight the gauge independent physical results expected. We also comment on the utility of the interpolation which leads to an alternative quasi-PDF that can be implemented in the lattice QCD without suffering from the large momentum boost.
Duggin, Hunter↗
Robust extraction of power corrections and nuclear dynamics from DIS at large $x$
We present recent updates from the CTEQ-JLab (CJ) global PDF analysis, focusing on the interplay and implementation systematics of the HT and offshell correction (CJ22ht). We also discuss preliminary results of the CJ25 global analysis, showing the impact of the full JLab 6 GeV datasets, that we recently collected in a comprehensive DIS database, and having a first look at early JLab 12 GeV measurements. We finally offer a few thoughts on how future data may help unraveling the nuclear and partonic dynamics in light nuclei.
Accardi, Alberto [Thomas Jefferson National Accele↗
SPRUCE Manual Phenology Observations and Photographs Beginning in 2011
This dataset contains periodic (most often weekly during the active season) observations of the phenology of vegetation bud swell, leaf out, leaf off, flowering, fruiting and the nature of snow cover and ice presence from the 2011-2023 growing seasons. These observations are supplemented by the collection of images from periodic photographs of the experimental plots (e.g., panoramic photographs) or images within plots (e.g., pictures of vegetation development or community status within defined ground footprints such as flux collars). A summary of vegetation phenology and snow and ice presence form 2011-2016 is also provided. Related data sets are also available that summarize site phenology (see Related Datasets). This dataset contains 336 phenology notes files in *.pdf format, 2284 phenology photos in *.jpg format, and three companion files containing phenology summaries, methodological, other contextual information. Early observations were conducted throughout the S1-Bog with an emphasis on the southern end of the bog. Observations collected since the spring of 2013 have focused on the southern end of the S1-Bog and the plots 2 through 21 of the SPRUCE experiment. Beginning in 2015 those observations included assessments within the enclosure space surrounding plots 4, 6, 8, 10, 11, 13, 16, 17, 19 and 20. These observations are ongoing, and this dataset will be appended annually.
54 ENVIRONMENTAL SCIENCES↗
Bowtie Manufacturing Images, Round 1&2
This dataset contains over 3,600 image files of images of a semiconductor manufactured part called 'Bowtie'. The data is grouped into 'accept' and 'reject' but does not contain masks for why the inspector rejected a part. There are further groupings such as different zoom magnifications, types of rejection (e.g. gouge, debris, etc.). Some of the parts have been laminated and are organized as such. For the 2nd round of data also included are Excel spreadsheets which can be used to identify position on the wafer where the images came from. The included PDF has example images and explains this in more detail.
97 MATHEMATICS AND COMPUTING↗
E3SMv1 simulation output from sensitivity study on aerosol process coupling
This dataset contains annual mean and 6-hourly output data from a set of E3SMv1 simulations that demonstrates the impact of numerical process coupling on the simulated dust life cycle. The simulations are documented and analyzed in the attached manuscript (pdf file). Publishing the manuscript in a peer-reviewed journal will require making the model output publicly available. We plan to use DataHub for that. The data files to be uploaded are currently saved on Compy under /compyfs/wanh895/scidac_share/cflx_2023/
Wan, Hui↗
Figures S1 to S14; Tables S1 to S7.
PDF of figures and tables
outer membrane vesicles ; extracellular vesicles ;↗
LBNL Fault Detection and Diagnostics Datasets
These datasets can be used to evaluate and benchmark the performance accuracy of Fault Detection and Diagnostics (FDD) algorithms or tools. It contains operational data from simulation, laboratory experiments, and field measurements from real buildings for seven HVAC systems/equipment (rooftop unit, single-duct air handler unit, dual-duct air handler unit, variable air volume box, fan coil unit, chiller plant, and boiler plant). Each dataset includes a .pdf file to document key information necessary to understand the content and scope, multiple csv files containing all the time-series data for faults at different severity levels and one fault-free case, and a ttl file to visualize the data according to BRICK schema. The dataset was created by LBNL, PNNL, NREL, ORNL and Drexel University.
AC↗
Why Is the Range of Timescale So Wide in Glass-Forming Liquid?
The viscosity and the relaxation time of a glass-forming liquid vary over 15 orders of magnitude before the liquid freezes into a glass. The rate of the change with temperature is characterized by liquid fragility. The mechanism of such a spectacular behavior and the origin of fragility have long been discussed, but it remains unresolved because of the difficulty of carrying out experiments and constructing theories that bridge over a wide timescale from atomic (ps) to bulk (minutes). Through the x-ray diffraction measurement and molecular dynamics simulation for metallic liquids we suggest that large changes in viscosity can be caused by relatively small changes in the structural coherence which characterizes the medium-range order. Here the structural coherence does not imply that of atomic-scale structure, but it relates to the coarse-grained density fluctuations represented by the peaks in the pair-distribution function (PDF) beyond the nearest neighbors. The coherence length is related to fragility and increases with decreasing temperature, and it diverges only at a negative temperature. This analysis is compared with several current theories which predict a phase transition near the glass transition temperature.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Out-of-Plane Sulfur Distortions in the Bi4O4S3 Superconductor
The local atomic structure of the non-magnetic layered superconductor Bi4O4S3 was investigated using neutron diffraction and pair density function (PDF) analysis. Although on average, the crystal structure is well ordered, evidence for local, out–of–plane sulfur distortions is provided, which may act as a conduit for charge transfer from the SO4 blocks into the superconducting BiS2 planes. In contrast with LaO1−xFxBiS2, no sulfur distortions were detected in the planes, which indicates that charge density wave fluctuations are not supported in Bi4O4S3.
Philip, Sharon S. (ORCID:000000031055718X)↗
A Novel Feature of Valence Quark Distributions in Hadrons
Examining the evolution of the maximum of valence quark distribution, qV, weighted by Bjorken x, h(x,t)≡xqV(x,t), it is observed that h(x,t) at the peak becomes a one-parameter function; h(xp,t)=Φ(xp(t)), where xp is the position of the peak, t=logQ2, and Q2 is the resolution scale. This observation is used to derive a new model-independent relation which connects the partial derivative of the valence parton distribution functions (PDFs) in xp to the quantum chromodynamics (QCD) evolution equation through the xp derivative of the logarithm of the function Φ(xp(t)). A numerical analysis of this relation using empirical PDFs results in an observation of the exponential form of the Φ(xp(t))=h(xp,t)=CeDxp(t) for leading to next-to-next leading order approximations of PDFs for the range of Q2, covering four orders in magnitude. The exponent, D, of the observed “height-position” correlation function converges with the increase in the order of approximation. This result holds for all the PDF sets considered. A similar relation is observed also for the pion valence quark distribution, indicating that the obtained relation may be universal for any non-singlet partonic distribution. The observed “height-position” correlation is used also to indicate that no finite number of exchanges can describe the analytic behavior of the valence quark distribution at the position of the peak at fixed Q2.
Leon, Christopher↗
Local Atomic Configuration in Pristine and A-Site Doped Silver Niobate Perovskite Antiferroelectrics
Antiferroelectrics have attracted increasing research interests in recent years due to both their great potential in energy storage applications and intriguing structural characteristics. However, the links between the electrical properties and structural characteristics of distorted perovskite antiferroelectrics are yet to be fully deciphered. Here, we adopt local-structure methods to elucidate the nanoscale atomic structure of AgNbO3-based antiferroelectrics and their structural evolution upon La doping. The local structural features including interatomic distance distributions and atomic displacements have been analyzed using neutron small-box pair distribution function (PDF) refinement in conjunction with large-box Reverse Monte Carlo modelling. Our results highlight the correlation of cation displacements in AgNbO 3 and its disruption by the incorporation of La, apparently in corroboration with the observed anomalous dielectric properties. Spatial ordering of cation vacancies is observed in La-doped AgNbO 3 samples, which coordinates with oxygen octahedral tilting to relieve lattice strain. These results provide renewed insights into the atomic structure and antiferroelectric phase instabilities of AgNbO 3 and relevant perovskite materials, further lending versatile opportunities for enhancing their functionalities.
36 MATERIALS SCIENCE↗