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At least 1,531 records · Page 85

All sources NASA NTRS DOE OSTI

DOE OSTI2016

Transient performance of accident tolerant fuel in design basis accidents

A set of transient analysis has been performed to assess the performance of candidate accident tolerant fuel (ATF) against reference UO{sub 2} fuel with Zircaloy cladding under design basis accident (DBA) conditions. This study examined two ATF options, U{sub 3}Si{sub 2} fuel with SiC cladding and UO{sub 2} fuel with APMT cladding. The accident analyses were conducted using the system code TRACE for a three-loop PWR plant. PARCS standalone full-core calculations were done for each fuel/cladding combination to provide inputs to the TRACE point-kinetics model. The design basis accidents analyzed were a reactivity insertion accident (RIA) and a large break loss-of-coolant accident (LBLOCA). The RIA was simulated by the insertion of a reactivity ramp of $1 (one dollar) in 0.1 s at hot full power (HFP) condition. The LBLOCA was a simulation of a double-ended pipe break in one of the cold legs of the primary loops. Differences in thermal responses of the fuel and the cladding are attributed to their thermal properties. The U{sub 3}Si{sub 2} fuel with its lower volumetric heat capacity and higher thermal conductivity (i.e. higher thermal diffusivity) generally results in a lower fuel temperature than the UO{sub 2} fuel and a correspondingly faster thermal response. Additional calculations for the U{sub 3}Si{sub 2} fuel shows that in a RIA the cladding material, SiC versus Zr, has little impact on the maximum fuel centerline temperature and the PCT (peak cladding temperature). An increase in the hot rod power factor is shown to raise the centerline fuel temperature in a RIA but has little impact on the PCT. The analysis results show that for a relatively fast decay heat driven transient, such as the LBLOCA, the thermal-hydraulics and fuel/cladding thermal properties dictate the overall response more so than the reactivity feedback. The results show that the PCTs in a LBLOCA are similar for all fuel/cladding combinations considered in this study. The LBLOCA analysis also notes the impact of the asymmetry in the system response. The fuel rods in the sector of the core connected to the hot leg of the broken loop (Sector 1 in the PWR model) is shown to have a much lower PCT than fuel rods in the other five sectors of the core. Results of this study indicate that for the two DBAs considered (RIA and LBLOCA) the transient behavior and the resulting peak cladding temperature of the two ATF options (U{sub 3}Si{sub 2} fuel with SiC cladding and UO{sub 2} fuel with APMT cladding) are similar to the standard light-water reactor fuel (UO{sub 2} fuel with Zircaloy cladding). (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2019

Modelling the Fluctuations of Reactive Shock Waves in Heterogeneous Solid Explosives as Stochastic Processes

Although current phenomenological burn models are useful for describing the average or bulk reactive flow behaviour of heterogeneous explosives, one fundamental weakness inherent to these models is the loss of detailed microstructural information at the scale of the calculation. In order to include the effects of the microstructure, and in particular the underlying material heterogeneities that influence the build-up to detonation, a new paradigm is put forth for modelling sub-grid, reaction-induced fluctuations (i.e. “hot spots”) at the continuum level. This modelling approach assumes that the reaction rate is stochastic, rather than deterministic, and it uses Langevin-type equations with a mathematical framework built upon Itô calculus and Lambourn's CIM model for shocked heterogeneous explosives. This approach follows directly from our previous letter, Ref. [1], and is inspired by the probability density function (pdf) methods used in turbulent reactive flows. Here, the stochastic burn model is derived, implemented, and exercised far beyond what has been shown in previous work. New hydrocode simulation results demonstrate the role of stochastic fluctuations during shock initiation; these fluctuations are approximated by collections of discrete particles, that evolve with drift (i.e. deterministic) and diffusion (i.e. stochastic) coefficients. Furthermore, the particle values are propagated and averaged to calculate the heat release, yield strength, and material impedance in each computational cell. Hydrocode simulation results further show how the fluctuating hot spot energy may or may not be transmitted to the wave front, and result in a detonation wave-like structure. The fundamental stochastic nature of this model permits simulations to have varying outcomes with the same initial conditions; this allows for go/no-go estimation (e.g., marginal or failed detonations), which might possibly be calibrated using the statistical distributions from real materials. Mesoscale calculations of shocked heterogeneous explosives also show that these fluctuations are physically justified (i.e., Ref. [2]), and it is hypothesized that the pdf functions provide a link between the meso(grain) and continuum scales for practical engineering calculations. Hence, our approach is a paradigm shift for building efficient, reduced order continuum burn models, that represent the sub-grid stochastic behaviour of shocked heterogeneous solid explosives.

42 ENGINEERING↗

DOE OSTI2017

A stable and accurate partitioned algorithm for conjugate heat transfer

We describe a new partitioned approach for solving conjugate heat transfer (CHT) problems where the governing temperature equations in different material domains are time-stepped in a implicit manner, but where the interface coupling is explicit. The new approach, called the CHAMP scheme (Conjugate Heat transfer Advanced Multi-domain Partitioned), is based on a discretization of the interface coupling conditions using a generalized Robin (mixed) condition. The weights in the Robin condition are determined from the optimization of a condition derived from a local stability analysis of the coupling scheme. The interface treatment combines ideas from optimized-Schwarz methods for domain-decomposition problems together with the interface jump conditions and additional compatibility jump conditions derived from the governing equations. For many problems (i.e. for a wide range of material properties, grid-spacings and time-steps) the CHAMP algorithm is stable and second-order accurate using no sub-time-step iterations (i.e. a single implicit solve of the temperature equation in each domain). In extreme cases (e.g. very fine grids with very large time-steps) it may be necessary to perform one or more sub-iterations. Each sub-iteration generally increases the range of stability substantially and thus one sub-iteration is likely sufficient for the vast majority of practical problems. The CHAMP algorithm is developed first for a model problem and analyzed using normal-mode the- ory. The theory provides a mechanism for choosing optimal parameters in the mixed interface condition. A comparison is made to the classical Dirichlet-Neumann (DN) method and, where applicable, to the optimized- Schwarz (OS) domain-decomposition method. For problems with different thermal conductivities and dif- fusivities, the CHAMP algorithm outperforms the DN scheme. For domain-decomposition problems with uniform conductivities and diffusivities, the CHAMP algorithm performs better than the typical OS scheme with one grid-cell overlap. Lastly, the CHAMP scheme is also developed for general curvilinear grids and CHT ex- amples are presented using composite overset grids that confirm the theory and demonstrate the effectiveness of the approach.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

Molecular dynamics simulations of NMR relaxation and diffusion of bulk hydrocarbons and water

Molecular dynamics (MD) simulations are used to investigate 1 H nuclear magnetic resonance (NMR) relaxation and diffusion of bulk n-C 5 H 12 to n-C 17 H 36 hydrocarbons and bulk water. The MD simulations of the 1H NMR relaxation times T 1,2 in the fast motion regime where T 1 = T 2 agree with measured (de-oxygenated) T2 data at ambient conditions, without any adjustable parameters in the interpretation of the simulation data. Likewise, the translational diffusion DT coefficients calculated using simulation con gurations are well-correlated with measured diffusion data at ambient conditions. The agreement between the predicted and experimentally measured NMR relaxation times and diffusion coefficient also validate the force elds used in the simulation. The molecular simulations naturally separate intramolecular from intermolecular dipole-dipole interactions helping bring new insight into the two NMR relaxation mechanisms as a function of molecular chain-length (i.e. carbon number). Comparison of the MD simulation results of the two relaxation mechanisms with traditional hard-sphere models used in interpreting NMR data reveals important limitations in the latter. With increasing chain length, there is substantial deviation in the molecular size inferred on the basis of the radius of gyration from simulation and the tted hard-sphere radii required to rationalize the relaxation times. This deviation is characteristic of the local nature of the NMR measurement, one that is well-captured by molecular simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

An Illumination- and Temperature-Dependent Analytical Model for Copper Indium Gallium Diselenide (CIGS) Solar Cells

In this study, we present a physics-based analytical model for copper indium gallium diselenide (CIGS) solar cells that describes the illumination- and temperature-dependent current-voltage (I-V) characteristics and accounts for the statistical shunt variation of each cell. The model is derived by solving the drift-diffusion transport equation so that its parameters are physical and, therefore, can be obtained from independent characterization experiments. The model is validated against CIGS I-V characteristics as a function of temperature and illumination intensity. This physics-based model can be integrated into a large-scale simulation framework to optimize the performance of solar modules, as well as predict the long-term output yields of photovoltaic farms under different environmental conditions.

14 SOLAR ENERGY↗

DOE OSTI2021

Fiber optic system for direct detection of CO 2 leakage in carbon storage wells (Abbreviated Final Report)

The feasibility study focused on the development of new fiber for distributed chemical sensing that will allow direct detection of CO2 leakages in the environment. This is particularly important for monitoring well integrity for carbon capture and storage (CSS), which can provide early warning for an incoming well failure and potential CO2 leaking through it. We proposed Raman or IR interrogation within gas-filled Holey Fibers (HoFs) interleaved with Fiber Bragg Grating (FBG) sections, so that the location and concentration of the gases would be provided simultaneously. The methodology would overcome current roadblocks to using fiber optics for CO2 (and other gases) detection in wells with direct in-situ measurements of concentration along with other important parameters such as temperature and pressure. We were able to assess commercially available IR/Raman hollow core fiber and demonstrated detection of CO2 through them in our controlled environment setups at various pressure conditions. We have also established the ability of drilling precisely with fs-lases side holes to enable penetration of CO2 into the hollow core fiber and reduce diffusion rates. Open joint collars were also explored with double functionality: to obtain splice to solid core fiber critical for field deployment and create gas ingress locations. Both diffusion-only and pressurized fiber system have been constructed following COMSOL based semi-hybrid optical /fluidodynamics models. FBGs have been identified and procured and characterized. Along the work we leveraged internal modeling/design, photonics/laser characterization, optical fiber fabrication, and AM lab capabilities to design, develop and test in-house components or assemblies. Our results indicate the potential of HoF for CO2 downhole direct detection.

25 ENERGY STORAGE↗

DOE OSTI2024

DRIFT: Diffusivity Regulation of Isotopes by nanoconFinementT

Spontaneous isotope fractionation has been reported under nanoconfinement conditions in naturally occurring systems, but the origin of this phenomena is currently unknown. Two existing hypotheses have been proposed, one based on changes in the solvation environment of the isotopes that reduces the non-mass dependent hydrodynamics contribution to diffusion. The other is that isotopes have mass-dependent surface adsorption, varying their total diffusion through nanoconfined channels. To investigate these hypotheses, benchtop experiments, nuclear magnetic resonance (NMR) spectroscopy, and molecule scale modeling were applied. Classical molecular dynamics simulations identified that the Na + and Cl - hydration shells across the three different salt solutions ( 22 Na 35 Cl, 23 Na 35 Cl, 24 Na 35 Cl) did not vary as a function of the Na + isotope, but that there was a significant pore size effect, with larger hydration shells at larger pore sizes. Additionally, while total adsorption times did not vary as a function of the Na + isotope or pore size, the free ion concentration, or those adsorbed on the surface for <5% of the simulation time did exhibit isotope dependence. Experimentally, challenges occurred developing a repeatable experiment, but NMR characterization of water diffusion rates through ordered alumina membranes was able to identify the existence of two distinct water environments associated with water inside and outside the pore. Further NMR studies could be used to confirm variation in hydration shells and diffusion rates of dissolved ions in water. Ultimately, mass-dependence adsorption is a primary driver of variations in isotope diffusion rates, rather than variation in hydration shells that occur under nanoconfinement.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1987

The wind-disk interaction in X-ray burst sources. II - Collimation by thick accretion disks

The wind-disk interaction model in type I cosmic X-ray bursts is here examined in the case where the accretion disk surrounding the neutron star is geometrically thick. The funnel structure along the rotation axis of such a system may collimate the radiatively driven wind following a thermonuclear flash in the star's surface layers, and could thereby enhance the radiative flux (diffusive plus advective) along the beam direction. It is shown that for plausible conditions, this mechanism can account for the super-Eddington fluxes observed in some bursts. The overall time scale for variability, the color temperature, and the spectral shape in this picture are consistent with the observed properties of type I X-ray bursts.

Melia, Fulvio↗

NASA NTRS1992

A near-wall four-equation turbulence model for compressible boundary layers

A near-wall four-equation turbulence model is developed for the calculation of high-speed compressible turbulent boundary layers. The four equations used are the k-epsilon equations and the theta(exp 2)-epsilon(sub theta) equations. These equations are used to define the turbulent diffusivities for momentum and heat fluxes, thus allowing the assumption of dynamic similarity between momentum and heat transport to be relaxed. The Favre-averaged equations of motion are solved in conjunction with the four transport equations. Calculations are compared with measurements and with another model's predictions where the assumption of the constant turbulent Prandtl number is invoked. Compressible flat plate turbulent boundary layers with both adiabatic and constant temperature wall boundary conditions are considered. Results for the range of low Mach numbers and temperature ratios investigated are essentially the same as those obtained using an identical near-wall k-epsilon model. In general, the numerical predictions are in very good agreement with measurements and there are significant improvements in the predictions of mean flow properties at high Mach numbers.

Sommer, T. P.↗

NASA NTRS1993

Near-wall variable-Prandtl-number turbulence model for compressible flows

A near-wall four-equation turbulence model is developed for the calculation of high-speed compressible turbulent boundary layers. The four equations used are the k-epsilon equations and the theta(exp 2)-epsilon (sub theta) equations. These equations are used to define the turbulent diffusivities for momentum and heat fluxes, thus allowing the assumption of dynamic similarity between momentum and heat transport to be relaxed. The Favre-averaged equations of motion are solved in conjunction with the four transport equations. Calculations are compared with measurements and with another model's predictions where the assumption of the constant turbulent Prandtl number is invoked. Compressible flat plate turbulent boundary layers with both adiabatic and constant temperature wall boundary conditions are considered. Results for the range of low Mach numbers and temperature ratios investigated are essentially the same as those obtained using an identical near-wall k-epsilon model. In general, there are significant improvements in the predictions of mean flow properties at high Mach numbers.

Sommer, T. P.↗

NASA NTRS2000

Long Term Degradation of Resin for High Temperature Composites

The durability of polymer matrix composites exposed to harsh environments is a major concern. Surface degradation and damage are observed in polyimide composites used in air at 125 to 300 C. It is believed that diffusion of oxygen into the material and oxidative chemical reactions in the matrix are responsible. Previous work has characterized and modeled diffusion behavior, and thermogravimetric analyses (TGAs) have been carried out in nitrogen, air, and oxygen to provide quantitative information on thermal and oxidative reactions. However, the model developed using these data was not able to capture behavior seen in isothermal tests, especially those of long duration. A test program that focuses on lower temperatures and makes use of isothermal tests was undertaken to achieve a better understanding of the degradation reactions under use conditions. A new low-cost technique was developed to collect chemical degradation data for isothermal tests lasting over 200 hr in the temperature range 125 to 300 C. Results indicate complex behavior not captured by the previous TGA tests, including the presence of weight-adding reactions. Weight gain reactions dominated in the 125 to 225 C temperature range, while weight loss reactions dominated beyond 225 C. The data obtained from isothermal tests was used to develop a new model of the material behavior. This model was able to fully capture the behavior seen in the tests up to 275 C. Correlation of the current model with both isothermal data at 300 C and high rate TGA test data is mediocre. At 300 C and above, the reaction mechanisms appear to change. Attempts (which failed) to measure non-oxidative degradation indicate that oxidative reactions dominate the degradation at low temperatures. Based on this work, long term isothermal testing in an oxidative atmosphere is recommended for studying the degradation behavior of this class of materials.

Patekar, Kaustubh A.↗

DOE OSTI2018

Advanced Modeling of Ions in Solutions, on Surfaces, and in Biological Environments (Final Scientific/Technical Report)

The research supported by this grant focused on modeling liquid water from basic microscopic theory and on developing advanced methodologies for molecular simulation and electronic structure calculation of large and disordered systems. Water is arguably the most important molecule on earth: without it there would be no life, as we know it. Water does not behave as a simple liquid. Understanding its unique and anomalous properties at the molecular level has been the focus of intense study during the entire last century and still is a major goal of research today. To address the problem we adopted a multipronged approach that included methodological and algorithmic developments as well as simulations of important model systems. We made progress on several key issues. (i) We implemented accurate electronic structure schemes for modeling water from quantum mechanical theory that make accessible in simulations processes driven by formation and breaking of chemical bonds. We studied in this way neat bulk water and simple solvated ions. We could understand, in particular, why hydronium, i.e. the positive water ion, diffuses faster than its negative counterpart, the hydroxyl, solving a 200-year-old ionic mystery of water, as reported in a news article featuring our study on Chemistry World, the magazine of the Royal Society of Chemistry (U.K.). (ii) Using advanced statistical mechanical techniques we studied water in the deeply undercooled regime, which may hold the clue to understanding many of the water anomalies. These conditions are currently only accessible to simulations based on empirical force fields. We found that deeply undercooled water, as described by the popular force field ST2, possesses a secondary critical point, below which it would spontaneously separate into two liquids, one of low-density (LDL) and one of high-density (HDL), much in the same way in which water and oil phase-separate at room temperature. The secondary critical point is supported indirectly by many experiments, but rapid ice nucleation has so far hindered direct observation. In related studies we gained new insight on the connection of the two metastable liquids with the two corresponding amorphous ice phases, LDA and HDA, which are observed experimentally. (iii) We developed and implemented several new algorithms for computing the electronic structure of large systems and to accelerate the calculation of electron exchange energies. We applied these methodologies to model nanomaterials, such as nanoribbons and nanoflakes, and to study water absorption and splitting on nanomaterials. (iv) We developed new local order descriptors. (v) In the last year of the project we developed a methodology based on deep neural networks to construct model interatomic potentials that can accurately reproduce ab-initio quantum mechanical simulations at the computational cost of empirical force fields. These potentials will make possible to access the size and time scales that are currently only accessible with empirical force fields without loosing the predictive power of ab-initio simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2001

The sugar model: catalytic flow reactor dynamics of pyruvaldehyde synthesis from triose catalyzed by poly-l-lysine contained in a dialyzer

The formation of pyruvaldehyde from triose sugars was catalyzed by poly-l-lysine contained in a small dialyzer with a 100 molecular weight cut off (100 MWCO) suspended in a much larger triose substrate reservoir at pH 5.5 and 40 degrees C. The polylysine confined in the dialyzer functioned as a catalytic flow reactor that constantly brought in triose from the substrate reservoir by diffusion to offset the drop in triose concentration within the reactor caused by its conversion to pyruvaldehyde. The catalytic polylysine solution (400 mM, 0.35 mL) within the dialyzer generated pyruvaldehyde with a synthetic intensity (rate/volume) that was 3400 times greater than that of the triose substrate solution (12 mM, 120 mL) outside the dialyzer. Under the given conditions the final yield of pyruvaldehyde was greater than twice the weight of the polylysine catalyst. During the reaction the polylysine catalyst was poisoned presumably by reaction of its amino groups with aldehyde reactants and products. Similar results were obtained using a dialyzer with a 500 MWCO. The dialyzer method of catalyst containment was selected because it provides a simple and easily manipulated experimental system for studying the dynamics and evolutionary development of confined autocatalytic processes related to the origin of life under anaerobic conditions.

Biogenesis↗

DOE OSTI2018

On the role of electro-migration in the evolution of radiation damage in nanostructured ionic materials

We report that radiation resistant materials are needed for a large number of applications. One route to enhancing radiation resistance is to introduce a high density of defect sinks such as grain boundaries. However, there are still important questions regarding the role of grain boundaries in enhancing radiation tolerance, particularly in ionic materials. Experiments have found large improvements in the amorphization resistance of oxides at temperatures where defect mobilities are too low to easily reach the boundaries. Standard reaction-diffusion models are inadequate in explaining this behavior. Here, we examine the role of electro-migration in the overall transport of irradiation-induced defects in ionic systems. We find that electro-migration can have a large impact on the steady state point defect concentrations as compared to models that do not include the effect of electro-migration. In particular, defect concentrations can change by nearly seven orders of magnitude for certain conditions. Finally, we conclude that radiation tolerance in nanocrystalline ionic ceramics will be driven both by enhanced sink density via small grain sizes and, critically, the effects of electro-migration induced by charge segregation to grain boundaries.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Short-term solar irradiance forecasting via satellite/model coupling

Here, the short-term (0-3 h) prediction of solar insolation for renewable energy production is a problem well-suited to satellite-based techniques. The spatial, spectral, temporal and radiometric resolution of instrumentation hosted on the geostationary platform allows these satellites to describe the current cloud spatial distribution and optical properties. These properties relate directly to the transient properties of the downwelling solar irradiance at the surface, which come in the form of 'ramps' that pose a central challenge to energy load balancing in a spatially distributed network of solar farms. The short-term evolution of the cloud field may be approximated to first order simply as translational, but care must be taken in how the advection is handled and where the impacts are assigned. In this research, we describe how geostationary satellite observations are used with operational cloud masking and retrieval algorithms, wind field data from Numerical Weather Prediction (NWP), and radiative transfer calculations to produce short-term forecasts of solar insolation for applications in solar power generation. The scheme utilizes retrieved cloud properties to group pixels into contiguous cloud objects whose future positions are predicted using four-dimensional (space + time) model wind fields, selecting steering levels corresponding to the cloud height properties of each cloud group. The shadows associated with these clouds are adjusted for sensor viewing parallax displacement and combined with solar geometry and terrain height to determine the actual location of cloud shadows. For mid/high-level clouds at mid-latitudes and high solar zenith angles, the combined displacements from these geometric considerations are non-negligible. The cloud information is used to initialize a radiative transfer model that computes the direct and diffuse-sky solar insolation at both shadow locations and intervening clear-sky regions. Here, we describe the formulation of the algorithm and validate its performance against Surface Radiation (SURFRAD; Augustine et al., 2000, 2005) network observations. Typical errors range from 8.5% to 17.2% depending on the complexity of cloud regimes, and an operational demonstration outperformed persistence-based forecasting of Global Horizontal Irradiance (GHI) under all conditions by ~10 W/m 2 .

14 SOLAR ENERGY↗

DOE OSTI2013

Gyro-fluid and two-fluid theory and simulations of edge-localized-modes

This paper reports on the theoretical and simulation results of a gyro-Landau-fluid extension of the BOUT++ code, which contributes to increasing the physics understanding of edge-localized-modes (ELMs). Large ELMs with low-to-intermediate-n peeling-ballooning (P-B) modes are significantly suppressed due to finite Larmor radius (FLR) effects when the ion temperature increases. For type-I ELMs, it is found from linear simulations that retaining complete first order FLR corrections as resulting from the incomplete “gyroviscous cancellation” in Braginskii's two-fluid model is necessary to obtain good agreement with gyro-fluid results for high ion temperature cases (T{sub i}≽3 keV) when the ion density has a strong radial variation, which goes beyond the simple local model of ion diamagnetic stabilization of ideal ballooning modes. The maximum growth rate is inversely proportional to T{sub i} because the FLR effect is proportional to T{sub i}. The FLR effect is also proportional to toroidal mode number n, so for high n cases, the P-B mode is stabilized by FLR effects. Nonlinear gyro-fluid simulations show results that are similar to those from the two-fluid model, namely that the P-B modes trigger magnetic reconnection, which drives the collapse of the pedestal pressure. Due to the additional FLR-corrected nonlinear E × B convection of the ion gyro-center density, for a ballooning-dominated equilibrium the gyro-fluid model further limits the radial spreading of ELMs. In six-field two fluid simulations, the parallel thermal diffusivity is found to prevent the ELM encroachment further into core plasmas and therefore leads to steady state L-mode profiles. The simulation results show that most energy is lost via ion channel during an ELM event, followed by particle loss and electron energy loss. Because edge plasmas have significant spatial inhomogeneities and complicated boundary conditions, we have developed a fast non-Fourier method for the computation of Landau-fluid closure terms based on an accurate and tunable approximation. The accuracy and the fast computational scaling of the method have been demonstrated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Advancing Enhanced Raman Spectroscopy to Detect and Measure NOW Pheromones (CPRB 2022 proposal)

Insect sex pheromones are chemical compounds that insects release to attract their partners over distances of hundreds of meters or even kilometers, in complete darkness and without any audible signals. Use of synthetic forms of key compounds have in some cases become an essential component of monitoring and/or managing key pests of agricultural crops, including navel orangeworm (Amyelois transitella) (NOW) in California tree nuts. These pheromone-based strategies can include monitoring, mating disruption, mass trapping, attract-and-kill and push-pull. There are currently multiple commercially available mating disruption products available for NOW and recent studies have demonstrated that they can be effectively used to reduce crop damage by this pest. Just how mating disruption works is not fully established and likely varies across products and target species. For instance, the extent to which synthetic pheromones compete with natural pheromone is not well understood, or in the case of monitoring, how efficaciously the insect follows the diffusing plumes, especially across large blocks and at plot borders. Furthermore, there may be specific conditions under which poor or impeded diffusion of synthetic pheromone diminishes the disruption effect, which could result in some males effectively locating females for reproduction. At the same time, many commercially available synthetic lures are also available, and growers have been effectively using them to track population development – although the attractive range of these lures remains unclear. That is, while pheromone lures can attract many moths, the relationship between trap capture and local populations, much less crop damage, remains unclear. Regardless of the emission source (aerosol puffers, meso emitters, lures etc.), we currently lack the ability to fully understand how these synthetic pheromone compounds diffuse away from their point-source of emission – and subsequently how this might affect the efficacy of mating disruption and/or the accuracy of monitoring efforts. Raman spectroscopy (RS) may offer a means to detect synthetic pheromone because of its analytical properties and recent technological advancements. In combination with nanostructured probes, RS has a demonstrated capability to detect volatiles at extremely low concentrations. While other methods for detecting pheromones have proven to be successful, such analytical methods like mass spectrometry (MS) gas chromatography (GC) require sampling in the fields and are not real-time. Other methods such as EAG/ EAD are also invasive (use antennas) but are of course valuable. Opto-electronic, micro and nano sensors just recently enticed interest. We fall in this latter category, proposing the use of optical spectroscopy (Raman) in a fiber aided by nanostructures to provide a chemical fingerprint without transductions and in real-time (i.e. no sampling). To date, we have been able to generate Raman signatures for the main chemicals in synthetic pheromones (a first for science, to the best of our knowledge), observe their trends at different concentrations, and also provide a clear distinction of such signatures in mixed samples via Principal Component Analysis (PCA) – all of which strengthens our conclusions on the ability of RS to detect emissions in more realistic conditions. We also established processes to enhance the detection sensitivity via preconcentration with Solid Phase Micro Extraction (SPME) fibers and Surface Enhanced Raman Spectroscopy (SERS) to increase the overall optical signals. Furthermore, we explored limitations and requirements for detecting from dispensers, lures, or live moths, including Dept. of Energy and CA State regulatory approvals. Finally, we setup some of our first “orchard in a box” experiments to measure pheromone diffusion along with developing appropriate models.

42 ENGINEERING↗

NASA NTRS1974

Effect of gravity on methane-air combustion

Analytical and numerical techniques dealing with the theoretical description of the influence of zero and reduced gravitational acceleration on diffusion flames, with a view to improving understanding of fires in space vehicles, were developed in support of experimental work performed in this area. This was done in order to confirm qualitative understanding of the process, to determine the quantitative accuracy of numerical predictions, and to establish a mathematical model of the process for subsequent use as a predictive and exploratory tool. The following results were accomplished: (1) derivation of differential equations and boundary conditions describing the system, (2) details of the computations, using a FORTRAN computer program, for calculating the flow and heat and mass transfer in two dimensions (both steady and unsteady). It was shown that the experimental behavior can be reproduced with fair accuracy, provided that the time step is sufficiently short.

Elghobashi, S.↗