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At least 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Amapari Marker Band Metal‐Enrichments: Potential Mechanisms and Implications for Surface and Subsurface Water and Weathering in Gale Crater

NASA's Curiosity rover is exploring a 5 km tall sedimentary mound that is hypothesized to record the transition from a warm and wet (phyllosilicate-rich) to a cold and drier (sulfate-rich) Mars. Evidence of magnesium sulfate-bearing rock has shown that Curiosity has crossed through this phyllosilicate-sulfate transition. Recently, Curiosity arrived at the Amapari Marker Band, a darker, indurated unit that can be traced laterally for tens of kilometers in orbiter images. Here, Curiosity found evidence for a very broad lake, and bedforms interpreted as wave-ripple laminated sedimentary rock that likely was deposited in shallow water in the explored location, before becoming a deeper lake. These rocks are enriched in Fe, Mn, and Zn which has major implications for groundwater paleohydrology in Gale crater. Three formation hypotheses are considered: concretion formation during early diagenetic alteration of shallow lake sediments, laterization or leaching of the sediments, and addition of Fe, Mn, and Zn by a mildly acidic and reducing groundwater interacting with a redox and/or pH front in a stratified lake. The preferred interpretation of the metal enrichments within the Amapari Marker band sedimentary rocks is that they formed in a shallow water environment at a redox and/or pH front within the ripple unit, which drove precipitation and concentration of metals. If the enrichments are due to groundwater alteration, these processes could link subsurface and surface environments. Water and the presence of high amounts of redox sensitive elements and other metals are favorable indicators for habitability.

58 GEOSCIENCES↗
DOE OSTI2023

Visualizing heterogeneous dipole fields by terahertz light coupling in individual nano-junctions

The challenge underlying superconducting quantum computing is to remove materials bottleneck for highly coherent quantum devices. The nonuniformity and complex structural components in the underlying quantum circuits often lead to local electric field concentration, charge scattering, dissipation and ultimately decoherence. Here we visualize interface dipole heterogeneous distribution of individual Al/AlO$_{x}$/Al junctions employed in transmon qubits by broadband terahertz scanning near-field microscopy that enables the non-destructive and contactless identification of defective boundaries in nano-junctions at an extremely precise nanoscale level. Our THz nano-imaging tool reveals an asymmetry across the junction in electromagnetic wave-junction coupling response that manifests as hot (high intensity) vs cold (low intensity) spots in the spatial electrical field structures and correlates with defected boundaries from the multi-angle deposition processes in Josephson junction fabrication inside qubit devices. The demonstrated local electromagnetic scattering method offers high sensitivity, allowing for reliable device defect detection in the pursuit of improved quantum circuit fabrication for ultimately optimizing coherence times.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Peculiarity of two thermodynamically-stable morphologies and their impact on the efficiency of small molecule bulk heterojunction solar cells

Structural characteristics of the active layers in organic photovoltaic (OPV) devices play a critical role in charge generation, separation and transport. Here we report on morphology and structural control of p-DTS(FBTTh 2 ) 2 :PC 71 BM films by means of thermal annealing and 1,8-diiodooctane (DIO) solvent additive processing, and correlate it to the device performance. By combining surface imaging with nanoscale depth-sensitive neutron reflectometry (NR) and X-ray diffraction, three-dimensional morphologies of the films are reconstituted with information extending length scales from nanometers to microns. DIO promotes the formation of a well-mixed donor-acceptor vertical phase morphology with a large population of small p -DTS(FBTTh2)2 nanocrystals arranged in an elongated domain network of the film, thereby enhancing the device performance. In contrast, films without DIO exhibit three-sublayer vertical phase morphology with phase separation in agglomerated domains. Our findings are supported by thermodynamic description based on the Flory-Huggins theory with quantitative evaluation of pairwise interaction parameters that explain the morphological changes resulting from thermal and solvent treatments. Our study reveals that vertical phase morphology of small-molecule based OPVs is significantly different from polymer-based systems. Lastly, the significant enhancement of morphology and information obtained from theoretical modeling may aid in developing an optimized morphology to enhance device performance for OPVs.

14 SOLAR ENERGY↗
DOE OSTI2023

Developing Renewable Energy Applications for Water Treatment Technologies and Transmission

The need for smaller treatment facilities for more isolated or rural municipal entities and industrial water treatment facilities continues to grow. From environmental justice and energy needs in remote communities that have never been serviced by larger scale utilities to smaller onsite treatment requirements to meet discharge regulations, energy efficient treatment systems that can leverage renewable energy sources can be an important asset to owners. Climate change and population dynamics have changed the needs for distributed water treatment systems and the manner in which they function. New treatment technologies that can operate under dynamic conditions and leverage variable energy sources (e.g., renewable energy, RE) can provide substantial efficiencies and cost savings. The National Renewable Energy Laboratory (NREL) is embarking on research projects that will perform multi-scale studies to investigate treatment technologies on varying source water quality that can operate under unsteady state flow conditions (timing) in response to energy availability, supply, and demand. A pilot-scale system will be built to assess modularity and scaling of treatment system operating conditions and performance. Modeling will also be used to determine feasibility and integration into grid emulation platforms to understand the use and value of operation with RE. Optimization will be completed for the treatment and distribution systems to document strengths and weaknesses of using RE power sources. Results of this effort will advance dynamic water treatment understanding under variable conditions and integration of RE sources to power these systems. This will lead to further decarbonization of municipal and private treatment facilities while supporting a paradigm shift in water treatment process operation and system design to achieve net-zero goals and move toward energy-sensitive resilient water treatment systems.

ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2014

Fast variance reduction for steady-state simulation and sensitivity analysis of stochastic chemical systems using shadow function estimators

We address the problem of estimating steady-state quantities associated to systems of stochastic chemical kinetics. In most cases of interest, these systems are analytically intractable, and one has to resort to computational methods to estimate stationary values of cost functions. In this work, we introduce a novel variance reduction algorithm for stochastic chemical kinetics, inspired by related methods in queueing theory, in particular the use of shadow functions. Using two numerical examples, we demonstrate the efficiency of the method for the calculation of steady-state parametric sensitivities and evaluate its performance in comparison to other estimation methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

An atmospheric pressure high-temperature laminar flow reactor for investigation of combustion and related gas phase reaction systems

A new high-temperature flow reactor experiment utilizing the powerful molecular beam mass spectrometry (MBMS) technique for detailed observation of gas phase kinetics in reacting flows is presented. The reactor design provides a consequent extension of the experimental portfolio of validation experiments for combustion reaction kinetics. Temperatures up to 1800 K are applicable by three individually controlled temperature zones with this atmospheric pressure flow reactor. Detailed speciation data are obtained using the sensitive MBMS technique, providing in situ access to almost all chemical species involved in the combustion process, including highly reactive species such as radicals. Strategies for quantifying the experimental data are presented alongside a careful analysis of the characterization of the experimental boundary conditions to enable precise numeric reproduction of the experimental results. The general capabilities of this new analytical tool for the investigation of reacting flows are demonstrated for a selected range of conditions, fuels, and applications. A detailed dataset for the well-known gaseous fuels, methane and ethylene, is provided and used to verify the experimental approach. Furthermore, application for liquid fuels and fuel components important for technical combustors like gas turbines and engines is demonstrated. Besides the detailed investigation of novel fuels and fuel components, the wide range of operation conditions gives access to extended combustion topics, such as super rich conditions at high temperature important for gasification processes, or the peroxy chemistry governing the low temperature oxidation regime. These demonstrations are accompanied by a first kinetic modeling approach, examining the opportunities for model validation purposes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Infrared laser induced population transfer and parity selection in {sup 14}NH{sub 3}: A proof of principle experiment towards detecting parity violation in chiral molecules

We have set up an experiment for the efficient population transfer by a sequential two photon—absorption and stimulated emission—process in a molecular beam to prepare quantum states of well defined parity and their subsequent sensitive detection. This provides a proof of principle for an experiment which would allow for parity selection and measurement of the time evolution of parity in chiral molecules, resulting in a measurement of the parity violating energy difference Δ{sub pv}E between enantiomers of chiral molecules. Here, we present first results on a simple achiral molecule demonstrating efficient population transfer (about 80% on the average for each step) and unperturbed persistence of a selected excited parity level over flight times of about 1.3 ms in the beam. In agreement with model calculations with and without including nuclear hyperfine structure, efficient population transfer can be achieved by a rather simple implementation of the rapid adiabatic passage method of Reuss and coworkers and considering also the stimulated Raman adiabatic passage technique of Bergmann and coworkers as an alternative. The preparation step uses two powerful single mode continuous wave optical parametric oscillators of high frequency stability and accuracy. The detection uses a sensitive resonantly enhanced multiphoton ionization method after free flight lengths of up to 0.8 m in the molecular beam. Using this technique, we were able to also resolve the nuclear hyperfine structure in the rovibrational levels of the ν{sub 1} and ν{sub 3} fundamentals as well as the 2ν{sub 4} overtone of {sup 14}NH{sub 3}, for which no previous data with hyperfine resolution were available. We present our new results on the quadrupole coupling constants for the ν{sub 1}, ν{sub 3}, and 2ν{sub 4} levels in the context of previously known data for ν{sub 2} and its overtone, as well as ν{sub 4}, and the ground state. Thus, now, {sup 14}N quadrupole coupling constants for all fundamentals and some overtones of {sup 14}NH{sub 3} are known and can be used for further theoretical analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

P-doped organic semiconductor: Potential replacement for PEDOT:PSS in organic photodetectors

In this work, we present an alternative to the use of PEDOT:PSS as hole transport and electron blocking layers in organic photodetectors processed by solution. As Poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT:PSS) is known to be sensitive to humidity, oxygen, and UV, removing this layer is essential for lifetime improvements. As a first step to achieving this goal, we need to find an alternative layer that fulfills the same role in order to obtain a working diode with similar or better performance. As a replacement, a layer of poly[(4,8-bis-(2-ethylhexyloxy)-benzo(1,2-b:4,5-b′)dithiophene)-2, 6-diyl-alt-(4-(2-ethylhexanoyl)-thieno[3,4-b]thiophene-)-2-6-diyl)] (PBDTTT-c) p-doped with the dopant tris-[1-(trifluoroethanoyl)-2-(trifluoromethyl)ethane-1,2-dithiolene] (Mo(tfd-COCF{sub 3}){sub 3}) is used. This p-doped layer effectively lowers the hole injection barrier, and the low electron affinity of the polymer prevents the injection of electrons into the active layer. We show similar device performance under light and the improvements of detection performance with the doped layer in comparison with PEDOT:PSS, leading to a detectivity of 1.9 × 10{sup 13} cm (Hz){sup 1/2} (W){sup −1}, competitive with silicon diodes used in imaging applications. Moreover, contrary to PEDOT:PSS, no localization of the p-doped layer is needed, leading to a diode active area defined by the patterned electrodes.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Near shot-noise limited time-resolved circular dichroism pump-probe spectrometer

We describe an optical near shot-noise limited time-resolved circular dichroism (TRCD) pump-probe spectrometer capable of reliably measuring circular dichroism signals in the order of $\mu$deg with nanosecond time resolution. Such sensitivity is achieved through a modification of existing TRCD designs and introduction of a new data processing protocol that eliminates approximations that have caused substantial nonlinearities in past measurements and allows the measurement of absorption and circular dichroism transients simultaneously with a single pump pulse. The exceptional signal-to-noise ratio of the described setup makes the TRCD technique applicable to a large range of non-biological and biological systems. Finally, the spectrometer was used to record, for the first time, weak TRCD kinetics associated with the triplet state energy transfer in the photosynthetic Fenna-Matthews-Olson antenna pigment-protein complex.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Near-zero-field magnetoresistance measurements: A simple method to track atomic-scale defects involved in metal-oxide-semiconductor device reliability

We demonstrate the ability of a relatively new analytical technique, near-zero-field magnetoresistance (NZFMR), to track atomic-scale phenomena involved in the high-field stressing damage of fully processed Si metal-oxide-semiconductor field-effect transistors. We show that the technique is sensitive to both the Pb0 and Pb1 dangling bond centers and that the presence of both centers can be inferred through NZFMR via hyperfine interactions with the central 29Si atoms of the dangling bonds. The NZFMR results also provide evidence for the redistribution of mobile hydrogen atoms at the Si/SiO2 interface and also a potential change in the average dipolar coupling constant between electrons in neighboring defects. This work shows that NZFMR offers significant analytical power for studying technologically relevant semiconductor device reliability problems and has advantages in experimental simplicity over comparable techniques.

Moxim, Stephen J. (ORCID:0000000309659904)↗
DOE OSTI2025

Strongly Interacting, Two-Dimensional, Dipolar Spin Ensembles in (111)-Oriented Diamond

Systems of spins with strong dipolar interactions and controlled dimensionality enable new explorations in quantum sensing and simulation. In this work, we investigate the creation of strong dipolar interactions in a two-dimensional ensemble of nitrogen-vacancy (NV) centers generated via plasma-enhanced chemical vapor deposition on (111)-oriented diamond substrates. We find that diamond growth on the (111) plane yields high incorporation of spins, both nitrogen and NV centers, where the density of the latter is tunable via the miscut of the diamond substrate. Our process allows us to form dense, preferentially aligned, 2D NV ensembles with volume-normalized ac sensitivity down to η ac = 810 pT μ m 3 / 2 Hz − 1 / 2 . Furthermore, we show that (111) affords maximally positive dipolar interactions among a 2D NV ensemble, which is crucial for leveraging dipolar-driven entanglement schemes and exploring new interacting spin physics. Published by the American Physical Society 2025

Hughes, Lillian B. (ORCID:0000000210201661)↗
DOE OSTI2019

Multi-solution nature of topology optimization and its application in design for additive manufacturing

The purpose of this paper is to introduce the multi-solution nature of topology optimization (TO) as a design tool for additive manufacturing (AM). The sensitivity of topologically optimized parts and manufacturing constraints to the initial starting point of the optimization process leading to structures with equivalent performance is explored. A modified bi-directional evolutionary structural optimization (BESO) code was used as the numerical approach to optimize a cantilever beam problem and reduce the mass by 50 per cent. Several optimized structures with relatively equivalent mechanical performance were generated by changing the initial starting point of the TO algorithm. These optimized structures were manufactured using fused deposition modeling (FDM). The equivalence of strain distribution in FDM parts was tested with the digital image correlation (DIC) technique and compared with that from the modified BESO code.The results confirm that TO could lead to a wide variety of non-unique solutions based on loading and manufacturability constraints. The modified BESO code was able to reduce the support structure needed to build the simple two-dimensional cantilever beam by 15 per cent while keeping the mechanical performance at the same level. Finally, the originality of this paper lies in introduction and application of the multi-solution nature of TO for AM as a design tool for optimizing structures with minimized features in the overhang condition and the need for support structures.

36 MATERIALS SCIENCE↗
DOE OSTI2026

DISARM: Target Electronic Device Informed Mitigation of Software Runtime Side-Channel Vulnerabilities

Program runtime/timing attacks exploit variations in a program’s execution times to extract sensitive information from the program (e.g. encryption keys, sensitive variable data, intellectual property). State-of-the-art solutions to runtime side-channel attacks attempt to balance the execution time of the sensitive code for different control flow paths to eliminate the timing leakage. However, during the mitigation process, most techniques do not consider the underlying hardware/device on which the target program is supposed to run on. This can lead to over-fixing (unnecessary extra operations), under-fixing (not solving the imbalance properly), and even failures. Here, we propose DISARM, a joint hardware-software methodology (unlike any existing solution) for mitigating runtime side-channel vulnerabilities that utilizes timing values from real embedded devices to generate targeted software fixes. We implement DISARM to support C/C++/Java source codes and validate it across 22 standard benchmarks. DISARM outperforms state-of-the-art solutions such as PENDULUM and DifFuzzaR in terms of execution time overhead, code size overhead, and correctness on five different embedded/edge devices.

Timing/runtime side-channel↗
DOE OSTI2022

Magnetostrictive Ultrasonic Waveguide Transducer for In-Pile Thermometry

Real-time and reliable temperature measurement on nuclear fuels is crucial for the safe operation of existing pressurized-water reactors and future advanced nuclear reactors. Magnetostrictive materials deform when subjected to a magnetic field or exhibit magnetization variation when stressed. Here, based on these properties, this study prototyped an ultrasonic thermometer (UT) consisting of a magnetostrictive waveguide, a dc coil providing appropriate magnetic biasing, and an ac coil generating an acoustic impulse and detecting the resulting acoustic echoes. By tracking the time of flight between the excitation pulse and the echoes, the UT can potentially detect nuclear fuel cladding temperature from a long distance. In this study, magnetostrictive iron–gallium alloys, or Galfenol, were selected as the waveguide due to their large magnetostriction, superior temperature survivability, excellent radiation resilience, and high mechanical robustness. A multiphysics finite-element model considering electrical, magnetic, and mechanical dynamics in the magnetostrictive UT was then developed. The model exhibited an error of 0.24% in time-of-flight simulation and, therefore, enabled computer-aided design and guided signal processing. Between room temperature and 120 °C, the new Galfenol-based UT exhibits a linear sensitivity of 162.8×10 ₋6 °C ₋1 , which is 51.7% higher than a previous magnetostrictive UT based on iron–cobalt–vanadium alloys.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Variation in stem mortality rates determines patterns of above-ground biomass in Amazonian forests: implications for dynamic global vegetation models

Understanding the processes that determine above-ground biomass (AGB) in Amazonian forests is important for predicting the sensitivity of these ecosystems to environmental change and for designing and evaluating dynamic global vegetation models (DGVMs). AGB is determined by inputs from woody productivity [woody net primary productivity (NPP)] and the rate at which carbon is lost through tree mortality. Here, we test whether two direct metrics of tree mortality (the absolute rate of woody biomass loss and the rate of stem mortality) and/or woody NPP, control variation in AGB among 167 plots in intact forest across Amazonia. We then compare these relationships and the observed variation in AGB and woody NPP with the predictions of four DGVMs. The observations show that stem mortality rates, rather than absolute rates of woody biomass loss, are the most important predictor of AGB, which is consistent with the importance of stand size structure for determining spatial variation in AGB. The relationship between stem mortality rates and AGB varies among different regions of Amazonia, indicating that variation in wood density and height/diameter relationships also influences AGB. In contrast to previous findings, we find that woody NPP is not correlated with stem mortality rates and is weakly positively correlated with AGB. Across the four models, basin-wide average AGB is similar to the mean of the observations. However, the models consistently overestimate woody NPP and poorly represent the spatial patterns of both AGB and woody NPP estimated using plot data. In marked contrast to the observations, DGVMs typically show strong positive relationships between woody NPP and AGB. Resolving these differences will require incorporating forest size structure, mechanistic models of stem mortality and variation in functional composition in DGVMs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Quantifying Trapped Powder in Electron Beam Powder Bed Fusion

Abstract Electron beam powder bed fusion (PBF-EB) shows great potential for manufacturing complex parts including those with internal cavities for heat exchanger, manifold systems, or energy absorption purposes. PBF-EB allows for the manufacture of channel geometries without the need for support structures. Due to the nature of the powder spreading process, powder feedstock is often trapped in intentionally manufactured cavities. This trapped powder can often be difficult to remove and can disturb the intended flow of fluid through the cavity or damage downstream components in its use case. These trapped powder particles present a risk of contamination and component failure if not completely evacuated. Ti6Al4V is a choice material for aerospace applications due to its high strength to weight ratio and its composition as a nonferrous metal; however, in weight sensitive applications excess entrapped powders or powders loosely attached to the surface could cause undesirable weight increases. The inherent spreading process of PBF-EB is different than laser powder bed fusion (PBF-LB) in its operational temperature, sintering. In addition, PBF-EB is less commonly studied in literature compared to its PBF-LB counterpart, and as a result the complexity of the semi-sintered powder and its spreading behavior are not well understood. Prior work has investigated the difficulty in removing trapped powder from PBF-EB, but these studies do not address how to quantify the amount of trapped powder in the cavity. Thus, an accurate method to measure the amount of trapped powder in the cavity must be investigated. In this work, Ti6Al4V coupons were manufactured with horizontal and vertical cavities of three different sizes. Archimedes testing allows for the determination of density differences caused by porosity and trapped powders by measuring mass and volumetric dispersion. Computed tomography (CT) is well suited for segmenting the internal structure and features of a part and has been studied for applications including voids, porosity, and dross. Thus, CT was explored as a method for evaluating trapped powder content in this work. The volumetric representation of the segmentation of the reconstructed CT volume can vary greatly depending on the input filter and thresholding methods. In this study, four different types of segmentation approaches were evaluated to determine the best approach for segmenting the volume as compared to an operator labeled ground truth. The percentage density results from the Archimedes testing were compared to the volumetric percent density from the computed tomography approach. Differences in packing density between two different internal channel features were investigated. Overall, this work sought to validate the use of computed tomography for the detection of trapped powders and present a framework for volumetric segmentation.

Johnstone, Brian↗
DOE OSTI2016

Low temperature platinum atomic layer deposition on nylon-6 for highly conductive and catalytic fiber mats

Low temperature platinum atomic layer deposition (Pt-ALD) via (methylcyclopentadienyl)trimethyl platinum and ozone (O{sub 3}) is used to produce highly conductive nonwoven nylon-6 (polyamide-6, PA-6) fiber mats, having effective conductivities as high as ∼5500–6000 S/cm with only a 6% fractional increase in mass. The authors show that an alumina ALD nucleation layer deposited at high temperature is required to promote Pt film nucleation and growth on the polymeric substrate. Fractional mass gain scales linearly with Pt-ALD cycle number while effective conductivity exhibits a nonlinear trend with cycle number, corresponding to film coalescence. Field-emission scanning electron microscopy reveals island growth mode of the Pt film at low cycle number with a coalesced film observed after 200 cycles. The metallic coating also exhibits exceptional resistance to mechanical flexing, maintaining up to 93% of unstressed conductivity after bending around cylinders with radii as small as 0.3 cm. Catalytic activity of the as-deposited Pt film is demonstrated via carbon monoxide oxidation to carbon dioxide. This novel low temperature processing allows for the inclusion of highly conductive catalytic material on a number of temperature-sensitive substrates with minimal mass gain for use in such areas as smart textiles and flexible electronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Poster — Thur Eve — 02: Measurement of CT radiation profile width using Fuji CR imaging plate raw data

Measuring the CT collimation width and assessing the shape of the overall profile is a relatively straightforward quality control (QC) measure that impacts both image quality and patient dose, and is often required at acceptance and routine testing. Most CT facilities have access to computed radiography (CR) systems, so performing CT collimation profile assessments using CR plates requires no additional equipment. Previous studies have shown how to effectively use CR plates to measure the radiation profile width. However, a major limitation of the previous work is that the full dynamic range of CR detector plates are not used, since the CR processing technology reduces the dynamic range of the DICOM output to 2{sup 10}, requiring the sensitivity and latitude settings of CR reader to be adjusted to prevent clipping of the CT profile data. Such adjustments to CR readers unnecessarily complicate the QC procedure. These clipping artefacts hinder the ability to accurately assess CT collimation width because the full-width at half maximum value of the penumbras are not properly determined if the maximum dose of the profile is not available. Furthermore, any inconsistencies in the radiation profile shape are lost if the profile plateau is clipped off. In this work we developed an opensource Matlab script for straightforward CT profile width measurements using raw CR data that also allows assessment of the profile shape without clipping, and applied this approach during CT QC.

60 APPLIED LIFE SCIENCES↗