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At least 811 records · Page 45

An OpenMP GPU-offload implementation of a non-equilibrium solidification cellular automata model for additive manufacturing

Here, in this paper, performance strategies on GPU-based HPC platforms of a cellular automata (CA) simulation code for non-equilibrium solidification, including nucleation, grain growth, solute partitioning and transport for the metal additive manufacturing (AM) process are investigated using OpenMP 4.5. To accurately report the speed-up for multicore CPUs and GPUs, a rigorous performance analysis employed optimizations appropriate for both CPU-only code (baseline) and GPU offload codes for an isothermal test problem. The performance results on Summit at the Oak Ridge Leadership Computing Facility indicate that using a precomputed list of interface cells significantly decreased the wall-clock time on GPUs. The speedup due to GPU acceleration was evaluated for a full Summit node and measured to be 1.8X when comparing a 6 MPI tasks run with 6 GPUs versus 36 MPI tasks on the CPU only. That speed-up was found to be 7.9X when comparing 6 MPI tasks with 6 GPUs versus the 6 MPI tasks running on the CPU only. Performance measurements showed that system total time is almost constant for runs with more than 96 MPI tasks (or GPUs), indicating that the GPU-accelerated code showed an excellent weak scaling performance. Finally, a rapid directional solidification problem was considered to demonstrate the CA code capability on Summit. It was found that a mesh size of at least 0.05 μm is recommended for the AM-like simulations in order to obtain accurate elongated grain microstructure and elongated subgrain features, which are in qualitative good agreement with experimental data. The results presented in this study indicate that the performance strategies on GPU-based HPC platforms for the CA code are appropriate for novel HPC exascale platforms.

36 MATERIALS SCIENCE↗

Mathematical and computational studies of equilibrium capillary free surfaces

The results of several independent studies are presented. The general question is considered of whether a wetting liquid always rises higher in a small capillary tube than in a larger one, when both are dipped vertically into an infinite reservoir. An analytical investigation is initiated to determine the qualitative behavior of the family of solutions of the equilibrium capillary free-surface equation that correspond to rotationally symmetric pendent liquid drops and the relationship of these solutions to the singular solution, which corresponds to an infinite spike of liquid extending downward to infinity. The block successive overrelaxation-Newton method and the generalized conjugate gradient method are investigated for solving the capillary equation on a uniform square mesh in a square domain, including the case for which the solution is unbounded at the corners. Capillary surfaces are calculated on the ellipse, on a circle with reentrant notches, and on other irregularly shaped domains using JASON, a general purpose program for solving nonlinear elliptic equations on a nonuniform quadrilaterial mesh. Analytical estimates for the nonexistence of solutions of the equilibrium capillary free-surface equation on the ellipse in zero gravity are evaluated.

Albright, N.↗

Structure of coronal neutral sheets

A qualitative model for the structure of the neutral sheet lying along the axis of coronal streamers is developed. The internal topology of the sheet is that of extremely thin magnetic tongues greatly distended outward by the solar wind expansion inside the sheet. Due to finite conductivity effects, expansion is taking place across the field lines but is retarded relative to the external flow by the reverse jxB force. The sheet thickness is determined by three considerations: the electrical conductivity that specifies the magnitude of the gradients in field strength, the expansion velocity that stretches the field lines outward decreasing the sheet thickness, and finally, the lateral pressure balance that limits the approach of the oppositely directed external field toward the neutral plane. If sigma is the electrical conductivity, the sheet thickness is shown to be proportional to sigma-1/3. For an electron conductivity evaluated perpendicular to the internal field in the sheet, the thickness is of the order of 100 km in the inner corona and 10,000 km at 1 AU. Microturbulence and instabilities are expected to yield dimensions greater than these theoretical values since these effects tend to reduce the effective conductivity.

Pneuman, G. W.↗

Tracking motions from satellite water vapor imagery: Quantitative applications to hurricane track forecasting

Water vapor imagery from GOES satellites has been available for over a decade. These data are used extensively, mainly in a qualitative mode, by forecasters in the United States (Weldon and Holmes, 1991). Some attempts have been made at quantifying the data by tracking features in time sequences of the imagery (Stewart et al., 1985; Hayden and Stewart, 1987). For a variety of reasons, applications of this approach have produced marginal results (Velden, 1990). Recently, METEOSAT-3 (M-3) was repositioned at 50W by the European Space Agency, in order to provide complete coverage of the Atlantic Ocean. Data from this satellite are being transmitted to the U.S. for operational use. Compared with the GOES satellite, the M-3 has a superior resolution and signal-to-noise ratio in its water vapor channel, which translates into improved automated tracking capabilities. During a period in 1992 which included the Atlantic hurricane season, water vapor tracking algorithms were applied to the M-3 data in order to evaluate the coverage, accuracy and model impact of the derived vectors. Data sets were produced during several tropical cyclone cases, including Hurricane Andrew. In this paper, the M-3 water vapor wind sets are assessed, and their impact on a hurricane track forecast model is examined.

Velden, Christopher↗

Aeroheating Predictions for the X-43 Cowl-Closed Configuration at Mach 7 and 10

A pre-flight analysis was conducted for the Mach 7 and Mach 10 X-43 cowl-closed configurations to evaluate three-dimensional flow-field effects on localized heating in the vicinity of the closed cowl flap and sidewall. First, engineering-level analyses based on documented laminar and turbulent surface heating database were used to estimate localized heating amplification factors to account for turbulent flow effects, corner flow effects and the presence of forebody boundary layer trip devices. These estimated factors were applied to 2-D computational predictions to develop surface heat loads. Second, thin-film gauge surface heating data were obtained for a Mach 10 cowl-closed configuration in a reflected shock tunnel at simulated flight conditions. Third, computational fluid dynamics (CFD) flow-field predictions were obtained at Mach 10 ground test conditions to provide comparisons with the engineering database predictions and experimental measurements. Similarly, a CFD solution was also obtained at Mach 7 flight conditions to provide qualitative comparisons with engineering predictions. The Mach 10 CFD predictions compare favorably with the experimental measurements and the engineering estimates for surface heating amplification on the closed cowl. However, experimental measurements were not of sufficient quantity on the sidewall surface to capture the highest localized heating rates, and also the Mach 10 CFD predictions suggest higher peak heating on the sidewall compared to the engineering estimates. Also, the Mach 7 CFD predictions indicate qualitative agreement with the database estimates in terms of flow-field structure and peak heating locations on the closed-cowl flap and sidewall surfaces.

Cockrell, Charles E., Jr.↗

A study of the accuracy of neutrally buoyant bubbles used as flow tracers in air

Research has been performed to determine the accuracy of neutrally buoyant and near neutrally buoyant bubbles used as flow tracers in air. Theoretical, computational, and experimental results are presented to evaluate the dynamics of bubble trajectories and factors affecting their ability to trace flow-field streamlines. The equation of motion for a single bubble was obtained and evaluated using a computational scheme to determine the factors which affect a bubble's trajectory. A two-dimensional experiment was also conducted to experimentally determine bubble trajectories in the stagnation region of NACA 0012 airfoil at 0 deg angle of attack using a commercially available helium bubble generation system. Physical properties of the experimental bubble trajectories were estimated using the computational scheme. These properties included the density ratio and diameter of the individual bubbles. the helium bubble system was then used to visualize and document the flow field about a 30 deg swept semispan wing with simulated glaze ice. Results were compared to Navier-Stokes calculations and surface oil flow visualization. The theoretical and computational analysis have shown that neutrally buoyant bubbles will trace even the most complex flow patterns. Experimental analysis revealed that the use of bubbles to trace flow patterns should be limited to qualitative measurements unless care is taken to ensure neutral buoyancy. This is due to the difficulty in the production of neutrally buoyant bubbles.

Kerho, Michael F.↗

An Exploratory Investigation of Some Factors Influencing the Room-Temperature Ductility of Tungsten

Specimens having an initial diameter of 0.125 inch were cut from commercially pure sintered and swaged tungsten rods. The effect of various surface treatments on the ductility of tungsten was evaluated by the use of a bend test. The criterion used to determine the relative ductilities was the final bend angle of the specimens. Results showed that the bend ductility of the tungsten specimens increased with increasing depths of the surface removed by electropolishing. When specimens electropolished to a depth sufficient to produce a marked increase in the ductility over that of the as-received surface condition were subsequently scratched with emery paper, the ductility achieved by electropolishing was greatly reduced. Removal of similar depths of the surface by grinding as were removed by electropolishing did not produce any appreciable increase in the ductility of the specimens. The ductility of specimens tested in the as-received surface condition and those having an electropolished surface exhibited a great sensitivity to deflection rate, the electropolished specimens being more ductile over the range of deflection rates tested. These exploratory results illustrated qualitatively the importance of surface condition on the room-temperature ductility of tungsten and indicated the importance of relatively fine scratches on the ductility of tungsten.

Stephens, Joseph R.↗

Direct coherent switching with decay of mixing for intersystem crossing dynamics of thioformaldehyde: The effect of decoherence

We evaluate the effect of electronic decoherence on intersystem crossing in the photodynamics of thioformaldehyde. First, we show that the state-averaged complete-active-space self-consistent field electronic structure calculations with a properly chosen active space of 12 active electrons in 10 active orbitals can predict the potential energy surfaces and the singlet–triplet spin–orbit couplings quite well for CH 2 S, and we use this method for direct dynamics by coherent switching with decay of mixing (CSDM). We obtain similar dynamical results with CSDM or by adding energy-based decoherence to trajectory surface hopping, with the population of triplet states tending to a small steady-state value over 500 fs. Without decoherence, the state populations calculated by the conventional trajectory surface hopping method or the semiclassical Ehrenfest method gradually increase. This difference shows that decoherence changes the nature of the results not just quantitatively but qualitatively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Impact Response of Carbon/Epoxy Laminates (Center Director's Discretionary Fund, Project No. 94-13)

Low velocity dropweight impact tests were conducted on carbon/epoxy laminates under various boundary conditions. The composite plates were 8-ply (+45,0,-45,90)s laminates supported in a clamped-clamped/free-free configuration with varying amounts of in-plane load, N(sub x), applied. Specimens were impacted at energies of 3.4, 4.5, and 6 Joules (2.5, 3.3, and 4.4 ft-lb). The amount of damage induced into the specimen was evaluated using instrumented impact techniques, x-ray inspection, and cross-sectional photomicroscopy. Some static identation tests were performed to examine if the impact events utilized in this study were of a quasi-static nature and also to gain insight into the shape of the deflected surface at various impact load combinations. Load-displacement curves from these tests were compared to those of the impact tests, as was damage determined from x-ray inspection. The finite element technique was used to model the impact event and determine the stress field within the laminae. Results showed that for a given impact energy level, more damage was induced into the specimen as the external in-plane load, N(sub x), was increased. The majority of damage observed consisted of back face splitting of the matrix parallel to the fibers in that ply, associated with delaminations emanating from these splits. The analysis showed qualitatively the results of impact conditions on maximum load of impact, maximum transverse deflection, and first failure mode and location.

Nettles, A. T.↗

Evaluating Rock Pool Hydroperiod Fluctuation using Climate Variables to Inform Habitat Monitoring and Protection in the Western Sonoran Desert

As warming and drying trends continue to impact the greater American Southwest, effective ecosystem management increasingly relies upon understanding the relationships between climate and water resources. Ephemeral freshwater rock pools, known as tinajas, have great ecological and cultural importance as some of the only sources of surface water in the western Sonoran Desert (WSD). Tinaja flooding and drying cycles, known as hydroperiods, vary based on meteorologic and climatologic conditions; however, a lack of extensive research relating climatic impacts to tinajas puts these critical ecosystems further at risk. Tinajas throughout the WSD are monitored by the National Park Service (NPS) using resource intensive strategies including in situ trail camera observation and direct measurement. To aid NPS monitoring efforts, this research used remotely sensed climate data to analyze spatiotemporal climate trends and relationships between climate variables and tinaja hydroperiods in the WSD between 1979–2022. Using Aqua and Terra Moderate Resolution Imaging Spectroradiometers (MODIS), University of Idaho Gridded Surface Meteorological Dataset (gridMET), and OpenET data, the project analyzed land surface temperature, evapotranspiration, precipitation, wind velocity, and solar radiation. The team generated climate anomaly time series and climate normal maps for the WSD, identifying statistically significant spatial and temporal trends. These data were then compared to daily, qualitative in situ hydroperiod observations taken between 2019–2022. This work will be used by the NPS to inform the monitoring and protection of tinajas in the WSD. Findings contribute to a limited body of research concerning climate and tinajas, which are often overlooked despite their disproportionate ecological importance.

Annie Britton↗

Application of Domain Knowledge to Software Quality Assurance

This work focused on capturing, using, and evolving a qualitative decision support structure across the life cycle of a project. The particular application of this study was towards business process reengineering and the representation of the business process in a set of Business Rules (BR). In this work, we defined a decision model which captured the qualitative decision deliberation process. It represented arguments both for and against proposed alternatives to a problem. It was felt that the subjective nature of many critical business policy decisions required a qualitative modeling approach similar to that of Lee and Mylopoulos. While previous work was limited almost exclusively to the decision capture phase, which occurs early in the project life cycle, we investigated the use of such a model during the later stages as well. One of our significant developments was the use of the decision model during the operational phase of a project. By operational phase, we mean the phase in which the system or set of policies which were earlier decided are deployed and put into practice. By making the decision model available to operational decision makers, they would have access to the arguments pro and con for a variety of actions and can thus make a more informed decision which balances the often conflicting criteria by which the value of action is measured. We also developed the concept of a 'monitored decision' in which metrics of performance were identified during the decision making process and used to evaluate the quality of that decision. It is important to monitor those decision which seem at highest risk of not meeting their stated objectives. Operational decisions are also potentially high risk decisions. Finally, we investigated the use of performance metrics for monitored decisions and audit logs of operational decisions in order to feed an evolutionary phase of the the life cycle. During evolution, decisions are revisisted, assumptions verified or refuted, and possible reassessments resulting in new policy are made. In this regard we implemented a machine learning algorithm which automatically defined business rules based on expert assessment of the quality of operational decisions as recorded during deployment.

Wild, Christian W.↗

Transient Finite Element Analyses Developed to Model Fan Containment Impact Events

Research is underway to establish an increased level of confidence in existing numerical techniques for predicting transient behavior when the fan of a jet engine is released and impacts the fan containment system. To evaluate the predictive accuracy that can currently be obtained, researchers at the NASA Lewis Research Center used the DYNA 3D computer code to simulate large-scale subcomponent impact tests that were conducted at the University of Dayton Research Institute (UDRI) Impact Physics Lab. In these tests, 20- by 40-in. flat metal panels, contoured to the shape of a typical fan case, were impacted by the root section of a fan blade. The panels were oriented at an angle to the path of the projectile that would simulate the conditions in an actual blade-out event. The metal panels were modeled in DYNA 3D using a kinematic hardening model with the strain rate dependence of the yield stress governed by the Cowper-Simons rule. Failure was governed by the effective plastic strain criterion. The model of the fan blade and case just after impact is shown. By varying the maximum effective plastic strain, we obtained good qualitative agreement between the model and the experiments. Both the velocity required to penetrate the case and the deflection during impact compared well. This indicates that the failure criterion and constitutive model may be appropriate, but for DYNA 3D to be useful as a predictive tool, methods to determine accurate model parameters must be established. Simple methods for measuring model parameters are currently being developed. In addition, alternative constitutive models and failure criteria are being investigated.

Pereira, J. Michael↗

Benchmark of the KGMf with a coupled Boltzmann equation solver

The Kinetic Global Model framework (KGMf) is an open-source general-purpose global model (spatially averaged) simulation code developed to explore the reaction kinetics and pathways in plasma discharge systems. It contains species continuity and electron energy balance equations, with a time-dependent evaluated electron energy distribution function (EEDF) for electron impact reactions. The EEDF is utilized to determine the rate coefficients for electron impact reactions, which can have profound impact on the temporal evolutions of plasma parameters. Previously, the EEDF was commonly assumed as Maxwellian or an analytical function of the effective electron temperature. In this work, the KGMf is coupled with a Boltzmann equation (BE) solver to self-consistently compute the EEDF. The EEDF evolution frequency is determined based on relative changes of the reduced electric field. The KGMf is benchmarked with the ZDPlasKin code based on high-pressure low-temperature argon plasma discharge cases. Additionally, the temporal evolutions of reduced electric field, electron temperature, EEDF, reaction rates, and species densities, are obtained and compared under different discharge conditions, showing good agreement between the KGMf and the ZDPlasKin simulations. The application of the KGMf for predicting breakdown times in high power microwave discharges is also presented, which shows qualitative agreement with particle-in-cell simulations. The KGMf can be further applied for more complicated plasma discharge systems, where the reaction kinetics are more intricate (e.g., plasma-assisted combustion systems).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Decision Aid for Conjunction Risk Mitigation by Differential Drag

In the previous five years, the rate of conjunctions that the NASA Conjunction Assessment Risk Analysis (CARA) team processed and analyzed has more than tripled. (NASA CARA, 2024) New missions in the early development phases are now required to plan for dealing with conjunctions under the present space environment, and also projecting forward into a future likely with even further increased utilization of the space environment. Some missions are investigating the possibility of using differential drag to remediate conjunctions without expending limited fuel or for missions without propulsive capabilities. The NASA CARA team studied the historical record of conjunctions to evaluate the circumstances under which differential drag may be successfully applied and have developed a series of tables to use as a decision aid for missions considering differential drag. Currently, if a CARA-protected mission with maneuvering capabilities is predicted to have a conjunction with probability of collision (Pc) greater than 7E-5 (the default value of the ‘yellow threshold’, which may have some other value agreed by CARA and the mission during the Orbital Collison Avoidance Planning (OCAP) process), CARA will use its Maneuver Trade Space (MTS) tool to evaluate and recommend options for the timing and magnitude of a risk mitigation maneuver (RMM), based on the mission’s capabilities. If the conjunction’s Pc is greater than 1E-4, the ‘red threshold’, then an RMM must be executed per NASA Procedural Requirements (NPR) 8079.1 (NASA, 2023), although missions may execute an RMM even if the Pc is lower. The magnitude of the maneuver is typically a few cm/s, and CARA estimates how many will be required for the mission’s nominal lifetime – typically a few per year – during the OCAP process, to inform the mission’s delta-V requirement. For traditional satellites, this is usually smaller than other requirements for orbit insertion, maintenance, and disposal, but for CubeSats or other small satellite missions, a propulsion system may not provide much more than a few cm/s of delta-V or may not fit at all within the available budget of money, time, size, weight, and/or power (SWaP). Conversely, CubeSats often have deployable solar panels, which offer the capacity to have much higher areas facing some directions than others. Such a mission can instead use ‘differential drag’ to remediate a conjunction -- in other words, change its drag area (usually increasing) to deviate from the predicted collision course. This is how Planet’s Dove spacecraft maintain their formations and remediate conjunction risks without having on-board propulsion (Foster, et al., 2017) (Griffith, et al., 2021). CARA has been developing improvements to MTS to support differential-drag for NASA's missions -- where it is effective. CARA records all conjunctions of their protected payloads, with historical records starting in 2005 (with significant conjunction events starting to occur on or after 2013). From this record, approximately 7,300 had a Pc greater than 1E-4 at 3 days prior to the time of closest approach, the time analyzed for differential drag efficacy. Of those, approximately 4,300 had fully-defined covariance matrices stored for both the primary and secondary objects; this set of conjunctions is the basis for the analysis of this work. CARA’s MTS tool was used to propagate the primary satellite forward from that decision point with varying degrees of increase to ballistic coefficient (BC). Because these conjunctions came from multiple missions, the nondimensional ‘delta-BC’ factor was used to quantify and normalize the increase in ballistic coefficient, defined as follows: Delta-BC = BC_new / BC_old - 1 Positive delta-BC factors represent an increase in drag compared to the nominal attitude, while negative delta-BC factors (to a minimum of -1) represent a decrease in drag. At the conclusion of the differential-drag ‘maneuver’, the Pc was recalculated to evaluate whether or not the conjunction was mitigated (Pc < 3E-6). These results were then binned and sorted along several axes, including altitude, amount of delta-BC, and (pre-maneuver) rate of energy dissipation (EDR), to identify underlying patterns. The altitude plot is shown in Figure 1. To validate this analysis, we consulted the record of a NASA mission which uses differential drag to maintain its orbit and remediate conjunction risk. CARA’s empirical record of the mission’s orbit history suggests it achieves a delta-BC of 2.2. Of the twenty-one RMM plans that were submitted by this mission, eighteen were matched with conjunctions in the historical record; of those, twelve were successfully remediated (final measured Pc < 3E-6), and six were not. This is consistent with the expected efficacy for missions orbiting at that altitude. We are presently simulating this mission’s RMMs with MTS; this work is ongoing, but so far, the MTS results are qualitatively in agreement with the empirical results -- correctly predicting that a maneuver would or would not remediate a conjunction, if not exactly matching the final post-remediation Pc value. We found that differential drag was most successful for satellites with perigees below 560 km, and which could adopt an average delta-BC of 2 or greater (that is, increasing their ballistic coefficient by a factor of 3). However, this is a difficult threshold for a mission to clear; very few spacecraft are capable of adopting a high-drag configuration for 72 hours continuously. Planet’s Dove spacecraft use differential drag to remediate conjunctions (Griffith, et al., 2021), and they have a maximum delta-BC factor of 9, but in practice (with mission and charging constraints) they achieve a time-averaged delta-BC that is closer to 2 (Foster, et al., 2017). A mission’s differential drag utility strongly depends on the operational constraints that has the capacity to limit the time-averaged delta-BC. A mission with a high maximum delta-BC of 5 or more can have an effective delta-BC of less than 1 due to operational constraints such as instrument and solar panel pointing, especially if this constraint results in holding an intermediate drag value for most of its orbit. CARA has developed tables that can be used as decision aids to advise missions-in-development about the best way to utilize their differential drag capabilities. For missions below 560 km with the operational flexibility to devote multiple days to holding a high-drag configuration (or a sufficiently high drag ratio to compensate for limitations on that time), they are -- more likely than not -- able to successfully remediate high-risk conjunctions. Conversely, missions that do not meet these exacting criteria -- most missions -- can instead be advised to use on-board propulsion systems to perform RMMs, or to turn their minimum-area face towards the approach vector, thereby reducing Pc at the moment of conjunction due to the decreased Hard-Body Radius (HBR), that is a strongly correlated variable in the Pc calculations. (NASA, 2023)

conjunction assessment↗

Evolved Gas Analysis–Mass Spectrometry Exposes Polymer Network Structures

Polymer network structures in epoxy thermosets play an important role in the final thermoset material properties. However, analytical characterization of these network structures is difficult due to their amorphous nature. In this work, the application of evolved gas analysis–mass spectrometry (EGA-MS) to characterize the polymer network structures of bisphenol A (BPA)-based thermosets is demonstrated. Analytical characterization of the polymer network structures is accomplished by monitoring the Product-Specific Kinetics (PSK) of BPA monomer formation during thermal degradation investigations. We relate observed differences in the activation energy (E a ) of BPA monomer formation to the local packing environment around the BPA monomer units within the polymer network. Variations in the local environment related to the polymer networks manifest qualitatively as broadening in the thermal profile of the BPA monomer evolution and quantitatively as changes in the activation energy (E a ). Three BPA thermoset formulations were investigated; two amine-cured thermoset with 4,4′-diaminodiphenylmethane (DDM) or poly(propylene glycol) bis(2-amino-propyl ether) (PPG400) and a homopolymerized thermoset via curing with Epikure 3253 catalyst (3253). Results revealed that the 3253 thermoset contained two distinct packing densities in the polymer network, while DDM and PPG400 thermosets had uniform distributions of packing densities. Results from the DDM thermoset revealed a gradually decreasing E a , while the apparent E a of PPG400 was consistent over the entire degradation. Furthermore, these differences in E a were concluded to stem from the flexibility of the corresponding polymer networks and the ability of the network components to rearrange and occupy formed voids. Due to the minimal sample required for analysis (100–200 μg), this EGA-MS technique has great potential for postproduction evaluation of composite parts to identify changes in the polymer networks from use and aging, which could signal compromised performance.

Degradation↗

Analysis, identification and confirmation of synthetic opioids using chloroformate chemistry: Retrospective detection of fentanyl and acetylfentanyl in urine and plasma samples by EI-GC-MS and HR-LC-MS

Electron Impact Gas Chromatography-Mass Spectrometry (EI-GC-MS) and High Resolution Liquid Chromatography-Mass Spectrometry (HR-LC-MS) have been used in the analysis of products arising from the trichloroethoxycarbonylation of fentanyl and acetylfentanyl in urine and plasma matrices. The method involves the initial extraction of both synthetic opioids separately from the matrices followed by detection of the unique products that arise from their reaction with 2,2,2-trichloroethoxycarbonyl chloride (Troc-Cl), namely Troc-norfentanyl and Troc-noracetylfentanyl. The optimized protocol was successfully evaluated for its efficacy at detecting these species formed from fentanyl and acetylfentanyl when present at low and high levels in urine (fentanyl: 5 and 10 ng/mL and acetylfentanyl: 20 and 100 ng/mL) and plasma (fentanyl: 10 and 20 ng/mL and acetylfentanyl: 50 and 200 ng/mL), values that reflect levels reported in overdose victims. The HR-LC-MS method’s LOQ (limit of quantitation) for the Troc-norfentanyl and Troc-noracetylfentanyl products was determined to be ~10 ng/mL for both species. Even though the superiority in the detection of these species by HR-LC-MS over EI-GC-MS, the latter method proved to be important in the detection of the second product from the reaction, namely 2-phenylethyl chloride that is crucial in the determination of the original opioid. This observation highlights the importance of using complimentary analytical techniques in the analysis of a sample, whether biological or environmental in nature. The method herein serves as a complementary, qualitative confirmation for the presence of a fentanyl in collected urine, plasma and by extension other biological samples amenable to the common extraction procedures described for opioid analysis. More importantly, the method’s main strength comes from its ability to react with unknown fentanyls to yield products that can be not only detected by EI-GC-MS and HR-LC-MS but can then be used to retrospectively identify an unknown fentanyl.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling the effect of wind speed and direction shear on utility‐scale wind turbine power production

Abstract Wind speed and direction variations across the rotor affect power production. As utility‐scale turbines extend higher into the atmospheric boundary layer (ABL) with larger rotor diameters and hub heights, they increasingly encounter more complex wind speed and direction variations. We assess three models for power production that account for wind speed and direction shear. Two are based on actuator disc representations, and the third is a blade element representation. We also evaluate the predictions from a standard power curve model that has no knowledge of wind shear. The predictions from each model, driven by wind profile measurements from a profiling LiDAR, are compared to concurrent power measurements from an adjacent utility‐scale wind turbine. In the field measurements of the utility‐scale turbine, discrete combinations of speed and direction shear induce changes in power production of −19% to +34% relative to the turbine power curve for a given hub height wind speed. Positive speed shear generally corresponds to over‐performance and increasing magnitudes of direction shear to greater under‐performance, relative to the power curve. Overall, the blade element model produces both higher correlation and lower error relative to the other models, but its quantitative accuracy depends on induction and controller sub‐models. To further assess the influence of complex, non‐monotonic wind profiles, we also drive the models with best‐fit power law wind speed profiles and linear wind direction profiles. These idealized inputs produce qualitative and quantitative differences in power predictions from each model, demonstrating that time‐varying, non‐monotonic wind shear affects wind power production.

Energy & Fuels↗

Influence of Realistic, Cyclic Atmospheric Cycles on the Pitting Corrosion of Austenitic Stainless Steels

Pitting corrosion was evaluated on stainless steels 304H, 304, and 316L the surfaces of which had ASTM seawater printed on them as a function of surface roughness after exposure to an exemplar realistic atmospheric diurnal cycle for up to one year. Methods to evaluate pitting damage included optical imaging, scanning electron microscopy imaging, profilometry analysis, and polarization scans. The developed cyclic exposure environment did not significantly influence pitting morphology nor depth in comparison to prior static exposure environments. Cross-hatching was observed in a majority of pits for all material compositions with the roughest surface finish (#4 finish) and in all surface finishes for the 304H composition. Evidence is provided that cross-hatched pit morphologies are caused by slip bands produced during the grinding process for the #4 finish or by material processing. Additionally, micro-cracking was observed in pits formed on samples with the #4 surface finish and was greatly reduced or absent for pits formed on samples with smooth surface finishes. This suggests that both a low RH leading to an MgCl 2 -dominated environment and a rough surface containing significant residual stress are necessary for micro-cracking. Finally, the use of various characterization techniques and cross sectioning was employed to both qualitatively and quantitatively assess pitting damage across all SS compositions and surface finishes.

36 MATERIALS SCIENCE↗