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DOE OSTI2023

Measurement of CP asymmetries and branching fraction ratios of B – decays to two charm mesons

The CP asymmetries of seven B – decays to two charm mesons are measured using data corresponding to an integrated luminosity of 9 fb –1 of proton-proton collisions collected by the LHCb experiment. Decays involving a D *0 or ${D}_s^{\ast -}$ meson are analysed by reconstructing only the D 0 or ${D}_s^{-}$ decay products. This paper presents the first measurement of $\mathcal{A}$ CP (B – → ${D}_s^{\ast -}$ D 0 ) and $\mathcal{A}$ CP (B – → ${D}_s^{-}$D $\ast$0 ), and the most precise measurement of the other five CP asymmetries. There is no evidence of CP violation in any of the analysed decays. Additionally, two ratios between branching fractions of selected decays are measured.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Iron corrosion in the “inert” supercritical CO 2 , ab initio dynamics insights: How impurities matter

Metal corrosion from exposure to supercritical fluids is a long-standing challenge lacking atomistic understanding for effective corrosion prevention in diverse important applications. Here, in this work, reactions relevant to corrosion in supercritical CO 2 (sCO 2 ), with H 2 O and NO 2 as impurities, are revealed using ab initio molecular dynamics and enhanced sampling methods. While little reactivity is observed in bulk sCO 2 , the iron surface is found to play a crucial almost-catalytic role in its own corrosion, activating the inert CO2 and hence facilitating $\ast$HCO 3 – and $\ast$CO 3 2– formation at the interface. Moreover, the hydrogen bond network of $\ast$H 2 O assists the H shuttling to the activated CO 2 and impurities, forming reactive species observed in experiments. Such atomistic insight elucidates the reaction mechanisms of metal corrosion in aqueous and supercritical fluids and can point to possible remedies.

36 MATERIALS SCIENCE↗

DOE OSTI2022

A study of degradation mechanisms in PVDF-based photovoltaic backsheets

Abstract Commercial backsheets based on polyvinylidene fluoride (PVDF) can experience premature field failures in the form of outer layer cracking. This work seeks to provide a better understanding of the changes in material properties that lead to crack formation and find appropriate accelerated tests to replicate them. The PVDF-based backsheet outer layer can have a different structure and composition, and is often blended with a poly(methyl methacrylate) (PMMA) polymer. We observed depletion of PMMA upon aging with sequential (MAST) and combined (C-AST) accelerated stress testing. In field-aged samples from Arizona and India, where PVDF crystallizes in its predominant α-phase, the degree of crystallinity greatly increased. MAST and C-AST protocols were, to some extent, able to replicate the increase in crystallinity seen in PVDF after ~ 7 years in the field, but no single-stress test condition (UV, damp heat, thermal cycling) resulted in significant changes in the material properties. The MAST regimen used here was too extreme to produce realistic degradation, but the test was useful in discovering weaknesses of the particular PVDF-based outer layer structure studied. No excessive β-phase formation was observed after aging with any test condition; however, the presence of β-phase was identified locally by Fourier transform infrared spectroscopy (FTIR). We conclude that both MAST and C-AST are relevant tests for screening outdoor failure mechanisms in PVDF backsheets, as they were successful in producing material degradation that led to cracking.

14 SOLAR ENERGY↗

DOE OSTI2026

Regulating in situ gaseous deposition to construct highly durable Fe–N–C oxygen-reduction fuel cell catalysts

The activity–stability trade-off challenges the design of high-performance atomically dispersed iron–nitrogen–carbon (Fe–N–C) catalysts for the acidic oxygen reduction reaction in polymer electrolyte fuel cells. Here we develop an in situ chemical vapour deposition approach during catalyst synthesis to break the trade-off, producing highly stable Fe–N–C catalysts while maintaining adequate oxygen reduction reaction activity. The optimal catalyst exhibits a half-wave potential of 0.867 V, remaining unchanged after an accelerated stress test (AST) of 100,000 potential cycles in rotating disk electrode tests. In membrane electrode assemblies under H 2 –air conditions, it delivers 93 mA cm −2 at 0.8 V after a standard AST of 30,000 voltage cycles, and shows minimal current density losses (2.9% at 0.6 V; 14.2% at 0.7 V) after an extended AST up to 120,000 cycles. Furthermore, the catalyst’s durability improvement is primarily due to the in situ chemical vapour deposition, which strengthens Fe–N bonds, increases active-site density, mitigates iron aggregates and reduces surface porosity.

Chemical engineering↗

DOE OSTI2021

Tuning the room temperature ferromagnetism in Fe 5 GeTe 2 by arsenic substitution

In order to tune the magnetic properties of the cleavable high-Curie temperature ferromagnet Fe$_{5-x}$GeTe 2 , the effect of increasing the electron count through arsenic substitution has been investigated. Small additions of arsenic (2.5% and 5%) seemingly enhance ferromagnetic order in polycrystalline samples by quenching fluctuations on one of the three magnetic sublattices, whereas larger As concentrations decrease the ferromagnetic Curie temperature (T C ) and saturation magnetization. Furthermore, this work also describes the growth and characterization of Fe 4.8 AsTe 2 single crystals that are structurally analogous to Fe$_{5-x}$GeTe 2 but with some phase stability complications. Magnetization measurements reveal dominant antiferromagnetic behavior in Fe 4.8 AsTe 2 with a Néel temperature of $T_{\textrm{N}} \approx$ 42 K. A field-induced spin-flop below T N results in a switch from negative to positive magnetoresistance, with significant hysteresis causing butterfly-shaped resistance loops. In addition to reporting the properties of Fe 4.8 AsTe 2 , this work shows the importance of manipulating the individual magnetic sublattices in Fe$_{5-x}$GeTe 2 and motivates further efforts to control the magnetic properties in related materials by fine tuning of the Fermi energy or crystal chemistry.

36 MATERIALS SCIENCE↗

DOE OSTI2021

A genomic data resource for predicting antimicrobial resistance from laboratory-derived antimicrobial susceptibility phenotypes

Antimicrobial resistance (AMR) is a major global health threat that affects millions of people each year. Funding agencies worldwide and the global research community have expended considerable capital and effort tracking the evolution and spread of AMR by isolating and sequencing bacterial strains and performing antimicrobial susceptibility testing (AST). For the last several years, we have been capturing these efforts by curating data from the literature and data resources and building a set of assembled bacterial genome sequences that are paired with laboratory-derived AST data. This collection currently contains AST data for over 67 000 genomes encompassing approximately 40 genera and over 100 species. In this paper, we describe the characteristics of this collection, highlighting areas where sampling is comparatively deep or shallow, and showing areas where attention is needed from the research community to improve sampling and tracking efforts. In addition to using the data to track the evolution and spread of AMR, it also serves as a useful starting point for building machine learning models for predicting AMR phenotypes. Further, we demonstrate this by describing two machine learning models that are built from the entire dataset to show where the predictive power is comparatively high or low.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Correlation of Advanced Accelerated Stress Testing with Polyamide-Based Photovoltaic Backsheet Field-Failures

Cracking of polyamide (PA)-based photovoltaic (PV) backsheet materials has been widely reported for field-aged modules. Failure was not detected by conventional accelerated stress tests (ASTs), which lacked the necessary combination of stress factors and/or factor sequences. PA-based AAA backsheet cracking has since been reproduced through combined and sequential stress testing. Planar- and cross-sectional-optical microscopy as well as Fourier-transform Infrared Spectroscopy (FTIR), have been used to elucidate the mechanical and chemical changes which lead to failure of the backsheet. Field-aged backsheet samples demonstrating failure in various climates (including locations in China and Italy) are also analyzed. Through the analysis, a comparison is made between the different stress testing protocols and the field-aged samples to validate relevance of the advanced stress tests. It is shown that the changes induced through combined-accelerated stress testing (C-AST) were most representative of changes induced by the field, supporting the relevance of C-AST and providing validity for the test protocol.

14 SOLAR ENERGY↗

DOE OSTI2021

Stability of Atomically Dispersed Fe–N–C ORR Catalyst in Polymer Electrolyte Fuel Cell Environment

We have investigated the durability of a platinum group metal (PGM-)free Fe–N–C catalyst in which the Fe sites are atomically dispersed (AD), and found it to be quite stable in standard accelerated stress test (AST) cycles normally used for low-PGM catalysts: a square wave with 0.6 V lower potential limit (LPL)—0.95 V upper potential limit (UPL) with 3-s holds at UPL and LPL in H 2 /N 2 , at 1.5 atm, 80 °C and 100% RH. Considering the metrics normally employed to characterize the durability of the low-PGM catalysts after 30,000 AST cycles, this PGM-free catalyst lost <50% catalyst activity, <50% H 2 /air performance at 0.8 V, and 40 mV at 1.5 A cm -2 . However, it is less stable in H 2 /air, losing ~50% catalyst activity after just 7.5 h of polarization measurements (load cycles). In combined cycles, the majority of the loss in catalyst activity occurred during the load cycles in H 2 /air rather than AST cycles in H 2 /N 2 . We have concluded that, unlike low-PGM catalysts that lose electrochemically active surface area (ECSA) through potential cycling-induced processes, (AD)Fe–N–C catalysts degrade by processes associated with the presence of oxygen.

25 ENERGY STORAGE↗

DOE OSTI2021

Impact of Carbon Support Structure on the Durability of PtCo Electrocatalysts

High performing, low-Pt content fuel cell membrane electrode assemblies (MEAs) are critical to the economic viability of proton exchange membrane fuel cells (PEMFCs) for the transportation industry. Considerable research has been conducted to reduce the Pt content in fuel cells, leading to the development of transition metal alloys, such as Platinum-Cobalt (PtCo). The degree of degradation of PtCo catalysts can be impacted by not only the composition and morphology of the catalyst particle itself, but also its interactions with the carbon support. In this study several low-PtCo MEAs were fabricated, with various combinations of porous and solid carbon cathode catalyst supports. The MEAs were subjected to an accelerated stress test (AST), and the catalyst degradation characterized using electrochemical, X-ray scattering, and electron microscopy techniques. Porous supports retain more of their electrochemically-active surface area (ECSA) and demonstrate higher performance after the AST. This is believed to be due to the ability of the porous supports to trap the metal particles within the pores, slowing their dissolution/precipitation, and agglomeration. However porous supports also exhibit greater increases in transport resistance probably associated with enhanced Co leaching under the AST conditions.

25 ENERGY STORAGE↗

DOE OSTI2022

Investigating the Particle Growth in Bimodal Pt/C Catalysts by In-Situ Small-Angle X-ray Scattering: Challenges in the Evaluation of Stress Test Protocol-Dependent Degradation Mechanisms

The influence of different combinations of accelerated stress test (AST) protocols simulating load-cycle and start/stop conditions of a proton exchange membrane fuel cell (PEMFC) vehicle is investigated on a bimodal Pt/C catalyst. The bimodal Pt/C catalyst, prepared by mixing two commercial catalysts, serves as a model system and consists of two distinguishable size populations. The change in mean particle size was investigated by in situ small-angle X-ray scattering (SAXS). The comparison to the reference catalysts, i.e., the two single-size population catalysts, uncovers the presence of electrochemical Ostwald ripening as a degradation mechanism in the bimodal catalyst. Increasing the harshness of the applied AST protocol combinations by faster changing between load-cycle or start/stop conditions, the particle size of the larger population of the bimodal catalyst increases faster than expected. Surprisingly, the change in mean particle size of the smaller size population indicates a smaller increase for harsher AST protocols, which might be explained by a substantial electrochemical Ostwald ripening.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Baselining Activity and Stability of ORR Catalysts and Electrodes for Proton Exchange Membrane Fuel Cells for Heavy-Duty Applications

Activity and stability of electrodes with Pt and PtCo alloy catalysts supported on high surface area carbon, hereafter to as a-Pt/C and d-PtCo/C, were evaluated for heavy-duty applications. Both catalysts had nearly identical Pt loading (50-wt% Pt on carbon and 0.25 mg Pt cm −2 ) and had undergone thermal treatment to stabilize them by growing the average particle size to 4–5 nm. Both were subjected to 90,000 (90 k) standard accelerated stress tests (AST) cycles consisting of 0.6–0.95 V square wave potentials, 3-s hold at upper and lower potential limits in H 2 /N 2 at 1.5 atm, 80 °C and 100% RH. Test protocols were developed to monitor the performance losses and characterize them in terms of activity for the oxygen reduction reaction (ORR), oxygen transport in the electrode and proton transport in the membrane and cathode catalyst layer. Despite the nearly double initial ORR activity, the PtCo/C electrode degraded faster due to the leaching of Co from the catalyst that had started even before the imposition of the AST potential cycles. Commensurate with Co leaching, Co poisoning of ionomer is responsible for the inferior performance of d-PtCo/C electrode at high current densities both before and after AST.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2020

Materials Data on Te2As2Se8S(OF6)2 by Materials Project

(AsTe(Se2F3)2)2SO2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four sulfur dioxide molecules and two AsTe(Se2F3)2 sheets oriented in the (0, 0, 1) direction. In each AsTe(Se2F3)2 sheet, there are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.77–1.80 Å. In the second As5+ site, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.79 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 5-coordinate geometry to three Se and two F1- atoms. There are a spread of Te–Se bond distances ranging from 2.61–2.64 Å. There are one shorter (3.01 Å) and one longer (3.11 Å) Te–F bond lengths. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three Se atoms. There are a spread of Te–Se bond distances ranging from 2.62–2.65 Å. There are eight inequivalent Se sites. In the first Se site, Se is bonded in a water-like geometry to one Te4+ and one Se atom. The Se–Se bond length is 2.31 Å. In the second Se site, Se is bonded in a distorted T-shaped geometry to two Se and one F1- atom. The Se–Se bond length is 2.39 Å. The Se–F bond length is 2.99 Å. In the third Se site, Se is bonded in a 3-coordinate geometry to one Te4+, one Se, and one F1- atom. The Se–Se bond length is 2.32 Å. The Se–F bond length is 2.92 Å. In the fourth Se site, Se is bonded in a distorted water-like geometry to one Te4+ and one Se atom. The Se–Se bond length is 2.31 Å. In the fifth Se site, Se is bonded in a 2-coordinate geometry to one Te4+, one Se, and one F1- atom. The Se–Se bond length is 2.30 Å. The Se–F bond length is 3.15 Å. In the sixth Se site, Se is bonded in a 2-coordinate geometry to one Te4+ and one Se atom. In the seventh Se site, Se is bonded in a water-like geometry to two Se atoms. In the eighth Se site, Se is bonded in a 3-coordinate geometry to one Te4+, one Se, and one F1- atom. The Se–F bond length is 3.15 Å. There are twelve inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ and one Te4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ and one Se atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As5+, one Te4+, and one Se atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As5+ and one Se atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one As5+ and one Se atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the twelfth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2025

TCF-18-15677 Final Report: Commercializing Perovskite/CIGS Tandems

Final Report for the Technology Commercialization Fund (TCF) project TCF-18-15677 between NREL and Ascent Solar Technologies, Inc (AST). This project paired NREL wide-bandgap perovskite knowhow for the top cell with AST CIGS bottom cells in tandem devices. Milestones were not all met due to a temporary AST shutdown during the project period of performance.

14 SOLAR ENERGY↗

NASA NTRS1981

Motion-base simulator results of advanced supersonic transport handling qualities with active controls

Handling qualities of the unaugmented advanced supersonic transport (AST) are deficient in the low-speed, landing approach regime. Consequently, improvement in handling with active control augmentation systems has been achieved using implicit model-following techniques. Extensive fixed-based simulator evaluations were used to validate these systems prior to tests with full motion and visual capabilities on a six-axis motion-base simulator (MBS). These tests compared the handling qualities of the unaugmented AST with several augmented configurations to ascertain the effectiveness of these systems. Cooper-Harper ratings, tracking errors, and control activity data from the MBS tests have been analyzed statistically. The results show the fully augmented AST handling qualities have been improved to an acceptable level.

Feather, J. B.↗

NASA NTRS1985

Mesospheric Winds and Tides at Arecibo/puerto Rico (18 Deg N, 67 Deg W) November 20-23, 1981

The SOUSY-VHF-Radar was operated in the period November 20 to 23, 1981 during a continuous run at the Arecibo Observatory. The data used for this analysis were recorded from 06 AST on November 20 until 06 AST on November 23. Meridional winds were measured at odd hours and zonal winds at even hours. The occurrence of mesospheric VHF radar echoes was limited as usual to the daylight hours between 06 and 18 AST. The height limits, were variable from day to day, they were roughly 62 to 90 km. The intermittency of echoes in time and height, as well as radio interference, made it fairly difficult to deduce tidal information for this time period. About 10 to 45 single velocity estimates could be used to calculate an hourly mean. The variance of the displayed resulting in data, obtained by weighted averaging over the 3 day period, is about similar to the mean. The winds were extremely low during the observation period. Velocities of the prevailing wind, observed during an earlier campaign were 5 to 10 times larger than in the period of November 20 to 23, 1981. The amplitudes of the diurnal tide are comparable.

Rottger, J.↗

NASA NTRS1994

Handling qualities of the High Speed Civil Transport

The low speed handling qualities of a High Speed Civil Transport class aircraft have been investigated by using data of the former Advanced Supersonic Transport (AST) 105. The operation of such vehicles in the airport terminal area is characterized by 'backside' performance. Main objectives of this research effort were: (Q) determination of the nature and magnitude of the speed instability associated with the backside of the thrust required curve; (2) confirmation of the validity of existing MIL-SPEC handling qualities criteria; (3) safety of operation of the vehicle in the event of autothrottle failure; and (4) correlation of required engine responsiveness with level of speed instability. Preliminary findings comprise the following: (1) The critical velocity for speed instability was determined to be 196 knots, well above the projected approach speed of 155 knots. This puts the vehicle far on the backside of its thrust required curve. While the aircraft can be configured to have static and dynamic stability at this trim point, a significant speed instability emerges, if a pilot or autopilot attempts flight path control with elevator and/or canard control surfaces only. This requires a properly configured autothrottle and/or variable aerodynamic drag devices which can provide speed stability; (2) An AST 105 type vehicle meets MIL-SPEC criteria only in part. While the damping criteria for phugoid and short period motion are met easily, the AST 105 falls short of the required minimum short period frequency, meaning that the HSCT is too sluggish in pitch to meet the military criteria. Obviously the military specification do not consider a vehicle with such high pitch inertia. With regard to speed stability and flight path stability criteria, the vehicle meets levels 2 and 3 of the military requirements, indicating that it would be landed safety with manual controls in case of an autothrottle failure, even though the pilot workload would be high; and (3) This requires quick thrust response to throttle adjustment, however. If the engine responsiveness is slow, the aircraft handling qualities are further deteriorated. Progress has been made in correlating required engine responses dyanmics with the given level of speed instability of the vehicle.

Solies, U. Peter↗

NASA NTRS2001

Image Mission Attitude Support Experiences

The spin-stabilized Imager for Magnetopause to Aurora Global Exploration (IMAGE) is the National Aeronautics and Space Administration's (NASA's) first Medium-class Explorer Mission (MIDEX). IMAGE was launched into a highly elliptical polar orbit on March 25, 2000 from Vandenberg Air Force Base, California, aboard a Boeing Delta II 7326 launch vehicle. This paper presents some of the observations of the flight dynamics analyses during the launch and in-orbit checkout period through May 18, 2000. Three new algorithms - one algebraic and two differential correction - for computing the parameters of the coning motion of a spacecraft are described and evaluated using in-flight data from the autonomous star tracker (AST) on IMAGE. Other attitude aspects highlighted include support for active damping consequent upon the failure of the passive nutation damper, performance evaluation of the AST, evaluation of the Sun sensor and magnetometer using AST data, and magnetometer calibration.

Ottenstein, N.↗

NASA NTRS2002

Small Engine Technology (SET). Task 33: Airframe, Integration, and Community Noise Study

Task Order 33 had four primary objectives as follows: (1) Identify and prioritize the airframe noise reduction technologies needed to accomplish the NASA Pillar goals for business and regional aircraft. (2) Develop a model to estimate the effect of jet shear layer refraction and attenuation of internally generated source noise of a turbofan engine on the aircraft system noise. (3) Determine the effect on community noise of source noise changes of a generic turbofan engine operating from sea level to 15,000 feet. (4) Support lateral attenuation experiments conducted by NASA Langley at Wallops Island, VA, by coordinating opportunities for Contractor Aircraft to participate as a noise source during the noise measurements. Noise data and noise prediction tools, including airframe noise codes, from the NASA Advanced Subsonic Technology (AST) program were applied to assess the current status of noise reduction technologies relative to the NASA pillar goals for regional and small business jet aircraft. In addition, the noise prediction tools were applied to evaluate the effectiveness of airframe-related noise reduction concepts developed in the AST program on reducing the aircraft system noise. The AST noise data and acoustic prediction tools used in this study were furnished by NASA.

Lieber, Lys S.↗