Results for “Alternative data” — Page 88

DOE OSTI2020

One-center close-coupling approach to two-center rearrangement collisions

Calculations of ionization and electron-capture cross sections in ion-atom collisions usually require solving the Schrödinger equation governing the collision system by expanding the total scattering wave function in a basis of target- and projectile-centered pseudostates. This approach leads to the two-center close-coupling equations which in some cases may become ill-conditioned due to the non-orthogonality of the underlying combined basis. Here we develop a technique which allows to accurately extract the necessary collision information, including that for the rearrangement channels, from the computationally more convenient one-center close-coupling equations which are built from only target-centered pseudostates. The robustness of the method is demonstrated by considering the proton-hydrogen scattering problem across a wide incident energy range. The developed method is then applied to study proton scattering on multielectron target of lithium. Here, the obtained results for the 2s → 2p excitation and the total electron-capture cross sections are in good agreement with corresponding experimental data. It is concluded that the presented technique could be a simpler alternative when integrated cross sections are required.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2024

Efficient secretion of a plastic degrading enzyme from the green algae Chlamydomonas reinhardtii

AbstractPlastic pollution has become a global crisis, with microplastics contaminating every environment on the planet, including our food, water, and even our bodies. In response, there is a growing interest in developing plastics that biodegrade naturally, thus avoiding the creation of persistent microplastics. As a mechanism to increase the rate of polyester plastic degradation, we examined the potential of using the green microalgaChlamydomonas reinhardtiifor the expression and secretion of PHL7, an enzyme that breaks down post-consumer polyethylene terephthalate (PET) plastics. We engineeredC. reinhardtiito secrete active PHL7 enzyme and selected strains showing robust expression, by using agar plates containing a polyester polyurethane (PU) dispersion as an efficient screening tool. This method demonstrated the enzyme’s efficacy in degrading ester bond-containing plastics, such as PET and bio-based polyurethanes, and highlights the potential for microalgae to be implemented in environmental biotechnology. The effectiveness of algal-expressed PHL7 in degrading plastics was shown by incubating PET with the supernatant from engineered strains, resulting in substantial plastic degradation, confirmed by mass spectrometry analysis of terephthalic acid (TPA) formation from PET. Our findings demonstrate the feasibility of polyester plastic recycling using microalgae to produce plastic-degrading enzymes. This eco-friendly approach can support global efforts toward eliminating plastic in our environment, and aligns with the pursuit of low-carbon materials, as these engineered algae can also produce plastic monomer precursors. Finally, this data demonstratesC. reinhardtiicapabilities for recombinant enzyme production and secretion, offering a “green” alternative to traditional industrial enzyme production methods.Graphical Abstract

Molino, João Vitor Dutra (ORCID:0000000324759807)↗

DOE OSTI2017

Crystal structure across the β to α phase transition in thermoelectric Cu 2– x Se

Here, the crystal structure uniquely imparts the specific properties of a material, and thus provides the starting point for any quantitative understanding of thermoelectric properties. Cu 2–x Se is an intensely studied high performing, non-toxic and cheap thermoelectric material, and here for the first time, the average structure of β-Cu 2–x Se is reported based on analysis of multi-temperature single-crystal X-ray diffraction data. It consists of Se–Cu layers with additional copper between every alternate layer. The structural changes during the peculiar zT enhancing phase transition mainly consist of changes in the inter-layer distance coupled with subtle Cu migration. Just prior to the transition the structure exhibits strong negative thermal expansion due to the reordering of Cu atoms, when approached from low temperatures. The phase transition is fully reversible and group–subgroup symmetry relations are derived that relate the low-temperature β-phase to the high-temperature α-phase. Weak superstructure reflections are observed and a possible Cu ordering is proposed. The structural rearrangement may have a significant impact on the band structure and the Cu rearrangement may also be linked to an entropy increase. Both factors potentially contribute to the extraordinary zT enhancement across the phase transition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Synthetic Fiber Capstan Drives for Highly Efficient, Torque Controlled, Robotic Applications

Here this paper describes the design and performance of a synthetic rope on sheave drive system. This system uses synthetic ropes instead of steel cables to achieve low weight and a compact form factor. We demonstrate how this system is capable of 28-Hz torque control bandwidth, 95% efficiency, and quiet operation, making it ideal for use on legged robots and other dynamic physically interactive systems. Component geometry and tailored maintenance procedures are used to achieve high endurance. Endurance tests based on walking data predict that the ropes will survive roughly 247,000 cycles when used on large (90 kg), fully actuated bipedal robot systems. The drive systems have been incorporated into two novel bipedal robots capable of three-dimensional unsupported walking. Robot data illustrate effective torque tracking and nearly silent operation. Finally, comparisons with alternative transmission designs illustrate the size, weight, and endurance advantages of using this type of synthetic rope drive system.

42 ENGINEERING↗

DOE OSTI2019

The ‘one–point method’ for estimating maximum carboxylation capacity of photosynthesis: a cautionary tale

The maximum carboxylation capacity of Rubisco, V c,max , is an important photosynthetic parameter that is key to accurate estimation of carbon assimilation. The gold-standard technique for determining V c,max is to derive Vc,max from the initial slope of an A–Ci curve (the response of photosynthesis, A to intercellular CO 2 concentration, Ci). Accurate estimates of V c,max derived from an alternative and rapid ‘one-point’ measurement of photosynthesis could greatly accelerate data collection and model parameterization. We evaluated the practical application of the one-point method in six species measured under standard conditions (saturating irradiance and 400 μmol CO 2 mol -1 ) and under conditions that would increase the likelihood for successful estimation of Vc,max: (a) ensuring Rubisco-limited A by measuring at 300 μmol CO 2 mol -1 , and (b) allowing time for acclimation to saturating irradiance prior to measurement. The one-point method significantly underestimated V c,max in four of the six species, providing estimates 21-32% below fitted values. We identified ribulose-1,5-bisphosphate-limited A, light acclimation and the use of an assumed respiration rate as factors that limited the effective use of the one-point method to accurately estimate V c,max . We conclude that the one-point method requires a species-specific understanding of its application, is often unsuccessful, and must be used with caution.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

What more can be done with XPS? Highly informative but underused approaches to XPS data collection and analysis

Because of the importance of surfaces and interfaces in many scientific and technological areas, the use of x-ray photoelectron spectroscopy (XPS) has been growing exponentially. Although XPS is being used to obtain useful information about the surface composition of samples, much more information about materials and their properties can be extracted from XPS data than commonly obtained. This paper describes some of the areas where alternative analysis methods or experimental design can obtain information about the near-surface region of a sample, often information not available in other ways. Experienced XPS analysts are familiar with many of these methods, but they may not be known to new or casual XPS users, and sometimes, they have not been used because of an inappropriately assumed complexity. The information available includes optical, electronic, and electrical properties; nanostructure; expanded chemical information; and enhanced analysis of biological materials and solid/liquid interfaces. Many of these analyses can be conducted on standard laboratory XPS systems, with either no or relatively minor system alterations. Topics discussed include (1) considerations beyond the “traditional” uniform surface layer composition calculation, (2) using the Auger parameter to determine a sample property, (3) use of the D parameter to identify sp 2 and sp 3 carbon information, (4) information from the XPS valence band, (5) using cryocooling to expand range of samples that can be analyzed and minimize damage, and (6) using electrical potential effects on XPS signals to extract chemically resolved electrical measurements including band alignment and electrical property information.

Baer, Donald R. [Pacific Northwest National Labora↗

DOE OSTI2018

Performance comparison of state-of-the-art high-speed video cameras for scientific applications

Time-resolved visualization of fast processes using high-speed digital video-cameras has been widely used in most fields of scientific research for over a decade. In many applications, high-speed imaging is used not only to record the time history of a phenomenon but also to quantify it, hence requiring dependable equipment. Important aspects of two-dimensional imaging instrumentation used to qualitatively or quantitatively assess fast-moving scenes include sensitivity, linearity, as well as signal-to-noise ratio (SNR). Under certain circumstances, the weaknesses of commercially available high-speed cameras, i.e., sensitivity, linearity, image lag, etc., render the experiment complicated and uncertain. Our study evaluated two advanced CMOS-based, continuous-recording, high-speed cameras available at the moment of writing. In this work, various parameters, potentially important toward accurate time-resolved measurements and photonic quantification, have been measured under controlled conditions on the bench, using scientific instrumentation. Testing procedures to measure sensitivity, linearity, SNR, shutter accuracy, and image lag are proposed and detailed. The results of the tests, comparing the two high-speed cameras under study, are also presented and discussed. Results show that, with careful implementation and understanding of their performance and limitations, these high-speed cameras are reasonable alternatives to scientific CCD cameras, while also delivering time-resolved imaging data.

42 ENGINEERING↗

DOE OSTI2016

Effect of reconstruction methods and x-ray tube current–time product on nodule detection in an anthropomorphic thorax phantom: A crossed-modality JAFROC observer study

Purpose: To evaluate nodule detection in an anthropomorphic chest phantom in computed tomography (CT) images reconstructed with adaptive iterative dose reduction 3D (AIDR{sup 3D}) and filtered back projection (FBP) over a range of tube current–time product (mAs). Methods: Two phantoms were used in this study: (i) an anthropomorphic chest phantom was loaded with spherical simulated nodules of 5, 8, 10, and 12 mm in diameter and +100, −630, and −800 Hounsfield units electron density; this would generate CT images for the observer study; (ii) a whole-body dosimetry verification phantom was used to ultimately estimate effective dose and risk according to the model of the BEIR VII committee. Both phantoms were scanned over a mAs range (10, 20, 30, and 40), while all other acquisition parameters remained constant. Images were reconstructed with both AIDR{sup 3D} and FBP. For the observer study, 34 normal cases (no nodules) and 34 abnormal cases (containing 1–3 nodules, mean 1.35 ± 0.54) were chosen. Eleven observers evaluated images from all mAs and reconstruction methods under the free-response paradigm. A crossed-modality jackknife alternative free-response operating characteristic (JAFROC) analysis method was developed for data analysis, averaging data over the two factors influencing nodule detection in this study: mAs and image reconstruction (AIDR{sup 3D} or FBP). A Bonferroni correction was applied and the threshold for declaring significance was set at 0.025 to maintain the overall probability of Type I error at α = 0.05. Contrast-to-noise (CNR) was also measured for all nodules and evaluated by a linear least squares analysis. Results: For random-reader fixed-case crossed-modality JAFROC analysis, there was no significant difference in nodule detection between AIDR{sup 3D} and FBP when data were averaged over mAs [F(1, 10) = 0.08, p = 0.789]. However, when data were averaged over reconstruction methods, a significant difference was seen between multiple pairs of mAs settings [F(3, 30) = 15.96, p < 0.001]. Measurements of effective dose and effective risk showed the expected linear dependence on mAs. Nodule CNR was statistically higher for simulated nodules on images reconstructed with AIDR{sup 3D} (p < 0.001). Conclusions: No significant difference in nodule detection performance was demonstrated between images reconstructed with FBP and AIDR{sup 3D}. mAs was found to influence nodule detection, though further work is required for dose optimization.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Tissue scale agent-based simulation of premalignant progressions in Barrett’s esophagus

Barrett’s esophagus (BE) is a benign condition of the distal esophagus that initiates a multistage pathway to esophageal adenocarcinoma (EAC). Short of frequent intrusive (and costly) surveillance, effective screening for neoplasia in BE populations is yet to be established since progressors are rare and virtually undetectable without routine biopsies, which often sample only a small portion of the BE tissue. As a result, reliable estimation of the true prevalence of dysplasia in a BE population and evidence-based optimization of screening for at-risk individuals is challenging. Data-driven microsimulations, i.e., model-generated instances of disease history in a predefined virtual population, have found utility in the EAC screening literature as low-overhead alternatives to real-world hypothesis testing of optimal interventions for dysplasia. Despite the successes, computational limitations, paucity of knowledge and data on Barrett’s dysplasia, and the complexities of disease progression as a multiscale multiphysics process have hindered the treatment of disease progression in BE as a spatial process. Agent-based modeling of nucleation and proliferation processes in dysplasia warrants exploration in this context as an approximation that operates at a trade-off between computational tractability and precise representation of the composition and physics of the substrate (tissue). In this study, we describe spatially resolved simulations of premalignant progression toward EAC in a coarse-grained model of Barrett’s tissue that resolves the metaplastic tissue at a length scale of 0.42 mm (~3300 crypts/mm 2 ). Finally, the model is calibrated to reproduce historical high-grade dysplasia prevalence when model-generated patients are screened using the Seattle protocol.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2012

Pathway Controlled Penetration (PcP) [Slides]

The technical approach employs advanced computational simulation tools to demonstrate how current assets can destroy RWK-RFI-12-0001's HDBT, a tunnel complex with two portals built into the base of a granite mountain. The granite over layer is assumed to be 60 meters thick over both portals and 80 meters over the facility's mission space. Key S&T is the completed development of a highly innovative viscoplastic fracture material model, 3D parallel gas-fracture capabilities into FDEM, and a stochastic handling of the material properties. Phase I - Develop and validate code simulation tools: (1) develop, incorporate and validate AZ-Frac material model for granite; and (2) Develop and incorporate gas-driven-fracture modeling into LANL's FDEM MUNROU code; (3) Develop and incorporate stochastic features into FDEM modeling. Phase II - Conduct PcP analysis on above HDBT: (1) Acquire HDBT design data, develop simulation model; and (2) Evaluate and select most promising defeat alternative. Phase III - Deliver code, train Service target analysts, and conduct simulations against real world HDBTs. PcP uses advanced computer simulations to enhance HDBT functional defeat efforts. Newly developed material models that account for fractural energy coupled with the finite discrete element methodology (FDEM) will provide targeting packages that will create penetration avenues for current or future lethality options. This novel computational approach requires full 3D geologic and structure characterization as well as significant high performance computing capabilities. The goal is to distinctively alter the targeting paradigm by leveraging critical DoD assets along with insitu geologic strata. In other words, assets will utilize underground rock structure to their benefit by creating rubbilization zones that will allow pathway controlled penetration.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2024

Investigation of Ammonia Carrier Materials for Next Generation Ammonia Dosing System - CRADA 334 (Abstract)

Lean-burn gasoline and diesel engines can offer substantially higher fuel efficiency, good driving performance, and reduced carbon dioxide emission compared to stoichiometric gasoline engines. Various catalyst technologies have been developed to remove the pollutants from these engines. For example, a three-way catalyst (TWC) is used to remove hydrocarbons (HC), carbon monoxide (CO), and nitrogen oxides (NOx) from gasoline engines during the stoichiometric conditions. During the lean-burn conditions, a TWC or a diesel oxidation catalyst (DOC) is used to control HC and CO emissions. NOx is removed by either lean NOx trap catalyst (LNT) that can store NOx under lean conditions and reduce NOx under rich conditions, or selective catalytic reduction catalyst (SCR) that can selectively remove NOx with a reducing agent. Among the NOx reduction catalyst technologies, SCR offers a number of advantages, including excellent NOx reduction efficiency over a wide range of temperatures and overall lower system cost. In fact, the SCR technology using ammonia (NH3) as reductant has been proven effective and used commercially for the removal of NOx emissions from stationary sources since the 1970s. Currently, SCR is being used to meet the NOx emission standards for diesel engines in Europe and North America, and also being considered for meeting the future NOx emission standards for lean-burn gasoline engines. Because of the challenges associated with storage, handling and transportation of ammonia on a vehicle, aqueous urea solution (e.g., Diesel Exhaust Fluid, AdBlue) has been developed as ammonia storage compound for mobile applications. When the aqueous urea solution is sprayed into exhaust gas stream, urea is decomposed to release ammonia, which then reduces NOx over the downstream SCR catalyst. Although aqueous urea solution technology has enabled automakers and engine manufacturers to meet the current NOx emission standards, this process of releasing ammonia requires a hot exhaust gas and sufficient mixing, creating challenges for low temperature NOx emission control and aftertreatment system packaging. For these reasons, alternative technologies have been developed as ammonia sources (e.g., solid urea, ammonium carbamate, metal ammine chloride) during the past few years. These technologies promise more convenient handling and distribution of ammonia sources, and help maximize the low-temperature performance of SCR catalysts and reduce the overall system volume and weight. However, none of these alternative technologies can be successfully implemented without the industry consensus. Therefore, the USCAR SCR work group, which is comprised of representatives from GM, Ford, and Chrysler, has decided to investigate the potential alternative ammonia carriers, define common standard vehicle interfaces, and address personal and environmental safety concerns with part suppliers and chemical companies. Under this CRADA Project, USCAR and Battelle will investigate alternative ammonia carrier materials that are currently under development. Based on the data and information derived under the CRADA project, the USCAR SCR work group plans to build the consensus and make recommendations for the industry.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

Investigation of Ammonia Carrier Materials for Next Generation Ammonia Dosing System - CRADA 334 (Abstract)

Lean-burn gasoline and diesel engines can offer substantially higher fuel efficiency, good driving performance, and reduced carbon dioxide emission compared to stoichiometric gasoline engines. Various catalyst technologies have been developed to remove the pollutants from these engines. For example, a three-way catalyst (TWC) is used to remove hydrocarbons (HC), carbon monoxide (CO), and nitrogen oxides (NOx) from gasoline engines during the stoichiometric conditions. During the lean-burn conditions, a TWC or a diesel oxidation catalyst (DOC) is used to control HC and CO emissions. NOx is removed by either lean NOx trap catalyst (LNT) that can store NOx under lean conditions and reduce NOx under rich conditions, or selective catalytic reduction catalyst (SCR) that can selectively remove NOx with a reducing agent. Among the NOx reduction catalyst technologies, SCR offers a number of advantages, including excellent NOx reduction efficiency over a wide range of temperatures and overall lower system cost. In fact, the SCR technology using ammonia (NH3) as reductant has been proven effective and used commercially for the removal of NOx emissions from stationary sources since the 1970s. Currently, SCR is being used to meet the NOx emission standards for diesel engines in Europe and North America, and also being considered for meeting the future NOx emission standards for lean-burn gasoline engines. Because of the challenges associated with storage, handling and transportation of ammonia on a vehicle, aqueous urea solution (e.g., Diesel Exhaust Fluid, AdBlue) has been developed as ammonia storage compound for mobile applications. When the aqueous urea solution is sprayed into exhaust gas stream, urea is decomposed to release ammonia, which then reduces NOx over the downstream SCR catalyst. Although aqueous urea solution technology has enabled automakers and engine manufacturers to meet the current NOx emission standards, this process of releasing ammonia requires a hot exhaust gas and sufficient mixing, creating challenges for low temperature NOx emission control and aftertreatment system packaging. For these reasons, alternative technologies have been developed as ammonia sources (e.g., solid urea, ammonium carbamate, metal ammine chloride) during the past few years. These technologies promise more convenient handling and distribution of ammonia sources, and help maximize the low-temperature performance of SCR catalysts and reduce the overall system volume and weight. However, none of these alternative technologies can be successfully implemented without the industry consensus. Therefore, the USCAR SCR work group, which is comprised of representatives from GM, Ford, and Chrysler, has decided to investigate the potential alternative ammonia carriers, define common standard vehicle interfaces, and address personal and environmental safety concerns with part suppliers and chemical companies. Under this CRADA Project, USCAR and Battelle will investigate alternative ammonia carrier materials that are currently under development. Based on the data and information derived under the CRADA project, the USCAR SCR work group plans to build the consensus and make recommendations for the industry.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2022

Hardware Selection and Performance of Low-Cost Fluorometers

Access to and extensive use of fluorometric analyses is limited, despite its extensive utility in environmental transport and fate. Wide-spread application of fluorescent tracers has been limited by the prohibitive costs of research-grade equipment and logistical constraints of sampling, due to the need for high spatial resolutions and access to remote locations over long timescales. Recently, low-cost alternatives to research-grade equipment have been found to produce comparable data at a small fraction of the price for commercial equipment. Here, we prototyped and benchmarked performance of a variety of fluorometer components against commercial units, including performance as a function of tracer concentration, turbidity, and temperature, all of which are known to impact fluorometer performance. While component performance was found to be comparable to the commercial units tested, the best configuration tested obtained a functional resolution of 0.1 ppb, a working concentration range of 0.1 to >300 ppb, and a cost of USD 59.13.

42 ENGINEERING↗

NASA NTRS1972

Orbital operations study. Volume 2: Interfacing activities analyses. Part 3: Data management activity group

A summary of the findings of the data management group of the orbital operations study is presented. Element interfaces, alternate approaches, design concepts, operational procedures, functional requirements, design influences, and approach selection are described. The following interfacing activities are considered: (1) communications, (2) rendezvous, (3) stationkeeping, and (4) detached element operations.

Mehrbach, E.↗

NASA NTRS1973

Two carrier communication system with single transmitter

A pulse code modulated communication system is disclosed for transmitting two subcarrier modulated carriers from a single transmitter comprising two channels for phase modulating the two carriers independently. The modulating subcarriers are independently modulated by data and/or pseudonoise (PN) codes as desired. The modulated carriers are switched alternately to the single transmitter in synchronism with operation of a PN code generator when PN code modulation is present, as for ranging.

Easterling, M. F.↗

NASA NTRS1973

Experimental quiet engine program. Predicted engine performance

Three turbofan configurations, each incorporating alternative noise reduction features, were tested under the Quiet Engine Program. Performance data for these engines are shown over a range of flight conditions. The data are presented in tabular form for standard day flight inlet conditions. Procedures for estimating nonstandard day performance are shown. Tabular data and calculation procedures to allow determination of ram recovery, customer bleed, and customer shaft power extraction effects on engine performance can be found in the original Performance Brochure titled, Experimental Quiet Engine Program, Predicted Engine Performance, dated April 8, 1970. Predicted engine noise levels for representative take-off and approach conditions are provided.

Source record↗

NASA NTRS1974

UCB current detector experiment on Swedish auroral payloads

A split Langmuir probe has been developed to make in situ measurements of ionospheric current density and plasma bulk flow. The probe consists of two conducting elements that are separated by a thin insulator that shield each other over a 2 pi solid angle, and that are simultaneously swept from negative to positive with respect to the plasma. By measuring the current to each plate and the difference current between plates, information is obtained on the plasma's current density, bulk flow, electron temperature, and density. The instrument was successfully flown twice on sounding rockets into auroral events. Measurement data indicate that the total auroral current configuration is composed of several alternating east and west electrojets associated with several alternating up and down Birkeland currents.

Mozer, F.↗

NASA NTRS1974

Vibrational relaxation in expanding N2 and air

New N2 vibrational temperature data, obtained in expanding N2 and air using the electron beam technique, are analyzed permitting the vibrational relaxation times to be determined as a function of temperature. In addition, the effects on N2 vibrational relaxation times of direct vibrational energy transfer between N2 and H2O, between N2 and O2, and between N2 and free electrons introduced from arc contaminants are analyzed. The vibrational relaxation times determined from the present measurements agree with those measured in the expanding flows of shock tunnels and impact tubes. These expanding data also agree with relaxation times observed in acoustical resonant cavities where alternating compressions and expansions take place. The relaxation times in expanding flows (vib-tran exchange process) are found to be approximately 50 times faster than those measured in the compressing flow of shock tubes (tran-vib exchange process). This evidence strongly supports the concept that one relaxation time distribution cannot be applied to both exchange processes.

Sebacher, D. I.↗