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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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At least 55 records · Page 3

Substrate birefringence as a source of artifacts in spintronic THz emission spectra

Terahertz (THz) emission from spintronic THz emitters (STEs) has been extensively studied, both for its potential application in THz technologies and as a tool for probing spin dynamics, conductivity, and crystal anisotropy via time-domain THz spectroscopy. However, substrate birefringence can modify the emitted THz polarization, distorting the measured spectra and leading to potential misinterpretation of the results. While some aspects of substrate birefringence on THz emission have been studied in the time domain, its effects on THz spectra have not been discussed in detail. In the THz emission spectrum from STEs, we observe distinct spectral signatures that depend on sample orientation. To understand these signatures, we use STEs grown on c-cut sapphire and systematically vary the orientation of a (100) rutile TiO 2 window in both pump-through and THz-through geometries to identify the birefringence-induced effects. These findings demonstrate that substrate birefringence plays a critical role in the emitted THz spectrum and must be carefully considered in the analysis of time-domain THz spectroscopy data. We also show that artifacts from smaller birefringence can have a more misleading effect on the THz spectra.

Shrestha, Shreya [Univ. of Delaware, Newark, DE (U↗

INL CRMO XRF Report 2025-04: Provenance Determinations for 116 Obsidian Artifacts from Upper Snake U.S. Bureau of Reclamation Archaeological Collections

This report presents provenance determinations for 116 obsidian artifacts from Upper Snake U.S. Bureau of Reclamation collections. Provenance determinations were made using energy dispersive X-ray fluorescence (ED-XRF) spectrometry at the Idaho National Laboratory (INL) Cultural Resource Management Office (CRMO) under the direction of Dr. Kyle Freund.

99 - GENERAL AND MISCELLANEOUS↗

INL CRMO XRF Report 2025-06: Provenance Determinations for 246 Obsidian and Fine-grained Volcanic Artifacts from Folsom-era Sites in Eastern Idaho

This report presents provenance determinations for 246 obsidian and fine-grained volcanic artifacts from Folsom-era sites in eastern Idaho. Provenance determinations were made using energy dispersive X-ray fluorescence (ED-XRF) spectrometry at the Idaho National Laboratory (INL) Cultural Resource Management Office (CRMO) under the direction of Dr. Kyle Freund.

58 GEOSCIENCES↗

Cloverleaf Data Artifacts for ArtIMis LDRD

This report summarizes the use of the open-source CloverLeaf/CloverLeaf3D mini-apps to generate synthetic data sets to train foundation models for the ArtIMis LDRD DI. These data artifacts are intended to be used by LANL collaborators and shared externally with our university and institutional partners. Note that CloverLeaf/CloverLeaf3D is not a LANL simulation code.

97 MATHEMATICS AND COMPUTING↗

Protein carbamylation and proteomics: from artifacts to elucidation of biological functions

Lysine carbamylation is a non-enzymatic protein post-translational modification (PTM) that plays important roles in regulating enzymatic activity and the pathogenesis of diseases such as atherosclerosis, rheumatoid arthritis, and uremia. The progress of understanding the roles of carbamylation in biological systems has been delayed due to lack of systematic assays to study its functions. To aggravate this scenario, carbamylation is a major artifact in proteomics analysis given that urea, which is used during sample preparation, induces carbamylation. In addition, anti-acetyllysine antibodies co-purify carbamylated and acetylated peptides. In a recent paper, we leveraged co-purification with anti-acetyllysine antibodies to develop a method for analyzing carbamylated proteomes. In this perspective article, we discuss how this method may be applied to characterize the physiological functions of carbamylation in humans and other biological models, as well as the utility of establishing novel disease biomarkers.

59 BASIC BIOLOGICAL SCIENCES↗

Analysis and Mitigation of Pulse-Pile-Up Artifacts in Plasma Pulse-Height X-ray Spectra

Pulse pile-up in pulse-height energy analyzers increases when the incident rate of pulses increases relative to the inverse of the dead time per pulse of the detection system. Changes in the observed energy distributions with incident rate and detector-electronics-formed pulse shape then occur. Here, we focus on weak high energy tails in X-ray spectra, important for measurements on partially ionized, warm (50–500 eV average electron energy), pure hydrogen plasma. A first-principles two-photon pulse-pile-up model is derived specific to trapezoidal-shaped pulses; quantitative agreement is found between the measurements and the model’s predictions. The model is then used to diagnose pulse-pile-up tail artifacts and mitigate them in relatively low count-rate spectra.

2-photon↗

Tag and seal employing a micromachine artifact

A method and apparatus to authenticate a tamper resistant seal that includes a population of particles embedded in an adhesive, the population including at least one micromachine artifact of a predetermined physical shape.

47 OTHER INSTRUMENTATION↗

The effect of WAAM process parameters on process conditions and production metrics in the fabrication of single-pass multi-layer wall artifacts

The present work seeks to understand the impact of varying dwell time and input deposition power on part quality and overall production time for wire arc additive manufacturing. In this work, multi-layer wall geometries were deposited under different input power conditions without affecting the material deposition rate by setting traverse speed and wire feed speed constant and varying the contact tip-to-workpiece distance and the deposition power settings. Current and voltage data and optical imaging of the deposition zone were captured in situ, and wall geometry was characterized using laser scanning, so to understand the applicability of these methods for determining part height in situ. Furthermore, the present results demonstrate that alternating dwell times with lower input deposition power can result in significantly reduced overall production time and minimal material underbuilding, despite increased deposition geometry width. Furthermore, it is shown that while elimination of process dwell results in severe underbuilding of the deposition, it also yields the highest production rate for a hybrid-finished (e.g., deposited, machined) wall in terms of mm in build direction per minute and the highest buy-to-fly ratio.

36 MATERIALS SCIENCE↗

Phase Composition and Phase Transformation of Additively Manufactured Nickel Alloy 718 AM Bench Artifacts

Additive manufacturing (AM) technologies offer unprecedented design flexibility but are limited by a lack of understanding of the material microstructure formed under their extreme and transient processing conditions and its subsequent transformation during post-build processing. As part of the 2022 AM Bench Challenge, sponsored by the National Institute of Standards and Technology, this study focuses on the phase composition and phase evolution of AM nickel alloy 718, a nickel-based superalloy, to provide benchmark data essential for the validation of computational models for microstructural predictions. Here, we employed high-energy synchrotron X-ray diffraction, in situ synchrotron X-ray scattering, as well as high-resolution transmission electron microscopy for our analyses. The study uncovers critical aspects of the microstructure in its as-built state, its transformation during homogenization, and its phase evolution during subsequent aging heat treatment. Specifically, we identified secondary phases, monitored the dissolution and coarsening of microstructural elements, and observed the formation and stability of γ ’ and γ ” phases. The results provide the rigorous benchmark data required to understand the atomic and microstructural transformations of AM nickel alloy 718, thereby enhancing the reliability and applicability of AM models for predicting phase evolution and mechanical properties.

36 MATERIALS SCIENCE↗

Revisiting Artifacts of Kohn–Sham Density Functionals for Biosimulation

We revisit the problem of unphysical charge density delocalization/fractionalization induced by the self-interaction error of common approximate Kohn–Sham (KS) density functional theory functionals on simulation of small to medium-sized proteins in a vacuum. Aside from producing unphysical electron densities and total energies, the vanishing of the HOMO–LUMO gap associated with the unphysical charge delocalization leads to an unphysical low-energy spectrum and catastrophic failure of most popular solvers for the KS self-consistent field (SCF) problem. We apply a robust quasi-Newton SCF solver to obtain solutions for some of these difficult cases. The anatomy of the charge delocalization is revealed by the natural deformation orbitals obtained from the density matrix difference between the Hartree–Fock and KS solutions; the charge delocalization not only can occur between charged fragments (such as in zwitterionic polypeptides) but also involves neutral fragments. The vanishing-gap phenomenon and troublesome SCF convergence are both attributed to the unphysical KS Fock operator eigenspectra of molecular fragments (e.g., amino acids or their side chains). Analysis of amino acid pairs suggests that the unphysical charge delocalization can be partially ameliorated by the use of some range-separated hybrid functionals but not by semilocal or standard hybrid functionals. Last, we demonstrate that solutions without the unphysical charge delocalization can be located even for semilocal KS functionals highly prone to such defects, but such solutions have non-Aufbau character and are unstable with respect to mixing of the non-overlapping “frontier” orbitals. Caution should be exercised when unexpectedly small (or vanishing) HOMO–LUMO gaps and atypical SCF convergence patterns (e.g., oscillatory) are observed in KS DFT simulations in any context (bio or otherwise).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electrical characterization of freestanding complex oxide ferroelectrics: Artifacts and experimental precautions

Recently, freestanding complex oxide ferroelectric materials have gained attention due to their tremendous potential in electronic and mechanical engineering applications. Whether these materials in a freestanding form exhibit intrinsically different behavior than in a strongly bonded as-grown state is a topic of ongoing exploration. Several factors such as circuit configuration, substrates, and electronic measurement conditions can affect probing the intrinsic properties of these materials and complicate the conclusive outcome of such exploration. The importance of maintaining the same experimental conditions for a comparative study of these materials in as-grown and freestanding states is discussed here

36 MATERIALS SCIENCE↗