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DOE OSTI2020

Why matter effects matter for JUNO

In this paper we focus on the Earth matter effects for the solar parameter determination by a medium baseline reactor experiment such as JUNO. We derive perturbative expansions for the mixing angles θ 12 and θ 13 as well as the Δm$^{2}_{21}$ and Δm$^{2}_{31}$ in terms of the matter potential relevant for JUNO. These expansions, up to second order in the matter potential, while simple, allow one to calculate the electron antineutrino survival probability to a precision much better than needed for the JUNO experiment. We use these perturbative expansions to semi-analytically explain and confirm the shift caused by the matter effects on the solar neutrino mixing parameters θ 12 and Δm$^{2}_{21}$ which were previously obtained by a purely numerical χ 2 analysis. Since these shifts do not satisfy the naive expectations and are significant given the precision that can be achieved by the JUNO experiment, a totally independent cross check using a completely different method is of particular importance. We find that these matter effect shifts do not depend on any of the details of the detector characteristics apart from the baseline and earth mass density between reactor(s) and detector, but do depend on the normalized product of reactor neutrino spectrum times the inverse-beta decay cross-section. The results of this manuscript suggests an alternative analysis method for measuring sin 2 θ 12 and Δm$^{2}_{21}$ in JUNO which would be a useful cross check of the standard analysis and for the understanding of the Wolfenstein matter effect. The explanation of these shifts together with a quantitative understanding, using a semi-analytical method, is the principal purpose of this paper.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Theory for transport in magnetized plasmas

We present a two fluid model for anomalous thermal, particle and momentum transport which has been derived from kinetic theory using a small parameter ε~10-2. This small parameter can come from either the ratio of wave frequency to cyclotron frequency or the ratio of potential to thermal energies. This fluid model is strongly nonlinear and has an exact closure within the accuracy ε. It can be used to simulate the full radius of a tokamak including internal and edge transport barriers at the same time without introducing any local assumptions for physics model or grid size. It involves a full transport matrix, thus giving possibility for both density and heat pinches. The model can be derived from the Vlasov equation, adding also close collisions and includes particle pinches of the type found in the magnetosphere and in the Massachusetts Institute of Technology elevated dipole machine. Pinches are also in agreement for the heat pinch experiments on Doublet III D including simultaneous particle and heat pinches. For tokamaks it gives the right scaling of confinement time versus heating power. Finally, we have also recovered the Turbulent Equipartition result that the density scales as inverse safety factor q in typical simulations. Thus this model is both fundamental and of high practical use.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1979

A cesium TELEC experiment at Lewis Research Center

The thermoelectronic laser energy converter (TELEC), was studied as a method of converting a 10.6 mm CO2 laser beam into electric power. The calculated characteristics of a TELEC seem to be well matched to the requirements of a spacecraft laser energy conversion system. The TELEC is a high power density plasma device which absorbs an intense laser beam by inverse bremsstrahlung with the plasma electrons. In the TELEC process, electromagnetic radiation is absorbed directly in the plasma electrons producing a high electron temperature. The energetic electrons diffuse out of the plasma striking two electrodes which are in contact with the plasma at the boundaries. These two electrodes have different areas: the larger one is designated as the collector, the smaller one is designated as the emitter. The smaller electrode functions as an electron emitter to provide continuity of the current. Waste heat is rejected from the collector electrode. An experiment was carried out with a high power laser using a cesium vapor TELEC cell with 30 cm active length. Laser supported plasma was produced in the TELEC device during a number of laser runs over a period of several days. Electric power from the TELEC was observed with currents in the range of several amperes and output potentials of less than 1 volt. The magnitudes of these electric outputs were smaller than anticipated but consistent with the power levels of the laser during this experiment.

Britt, E. J.↗

NASA NTRS2000

Relationship of Exercise, Age, and Gender on Decompression Sickness and Venous Gas Emboli During 2-Hour Oxygen Prebreathe Prior to Hypobaric Exposure

We evaluated four 2-hour oxygen prebreathe protocols combining adynamia (non-walking) and 4 different amounts of exercise for potential use with extravehicular activity (EVA) on the International Space Station. Phase I: upper and lower body exercises using dual-cycle ergometry (75% VO2 max for 10 min). Phase 11: same ergometry plus 24 min of light exercise that simulated space suit preparations. Phase III: same 24 min of light exercise but no ergometry, and Phase IV: 56 min of light exercise without ergometry. After 80 min on 100% O2, the subjects breathed 26.5% O2 - 73.5% N2 for 30 min at 10.2 psi. All subjects performed a series of upper body exercises from a recumbent position for 4 hrs at 4.3 psi to simulate EVA work. Venous gas emboli (VGE) were monitored every 12 min using precordial Doppler ultrasound. The 39 female and 126 male exposures were analyzed for correlations between decompression sickness (DCS) or VGE, and risk variables. The duration and quantity of exercise during prebreathe inversely relates to DCS and VGE incidence. The type and distribution of the 19 cases of DCS were similar to historical cases. There was no correlation of age, gender, body mass index, or fitness level with greater incidence of DCS or all VGE. However there were more Grade IV VGE in males > 40 years (10 of 19) than in those =< 40 years (3 of 107), with p<0.01 from Fisher's Exact Chi square The latency time for VGE was longer (103 min +/- 56 SD, n = 15 versus 53 min +/- 31, n =13) when the ergometry occurred about 15 min into the prebreathe than when performed at the start of the prebreathe, but the order of the ergometry did not influence the overall DCS and VGE incidence. An increasing amount of exercise during prebreathes reduced the risk of DCS during subsequent exposures to 4.3 psi. Age, gender, or fitness level did not correlate with the incidence of DCS or VGE (combination of Grades I-IV). However males greater than 40 years had a higher incidence of Grade IV VGE.

Conkin, J.↗

NASA NTRS2000

Radiative Properties of Cirrus Clouds in the Infrared (8-13 microns) Spectral Region

Atmospheric radiation in the infrared (IR) 8-13 microns spectral region contains a wealth of information that is very useful for the retrieval of ice cloud properties from aircraft or space-borne measurements. To provide the scattering and absorption properties of nonspherical ice crystals that are fundamental to the IR retrieval implementation, we use the finite-difference time domain (FDTD) method to solve for the extinction efficiency, single-scattering albedo, and the asymmetry parameter of the phase function for ice crystals smaller than 40 microns. For particles larger than this size, the improved geometric optics method (IGOM) can be employed to calculate the asymmetry parameter with an acceptable accuracy, provided that we properly account for the inhomogeneity of the refracted wave due to strong absorption inside the ice particle. A combination of the results computed from the two methods provides the asymmetry parameter for the entire practical range of particle sizes between 1 micron and 10000 microns over wavelengths ranging from 8 microns to 13 microns. For the extinction and absorption efficiency calculations, several methods including the IGOM, Mie solution for equivalent spheres (MSFES), and the anomalous diffraction theory (ADT) can lead to a substantial discontinuity in comparison with the FDTD solutions for particle sizes on the order of 40 microns. To overcome this difficulty, we have developed a novel approach called the stretched scattering potential method (SSPM). For the IR 8-13 microns spectral region, we show that SSPM is a more accurate approximation than ADT, MSFES, and IGOM. The SSPM solution can be further refined numerically. Through a combination of the FDTD and SSPM, we have computed the extinction and absorption efficiency for hexagonal ice crystals with sizes ranging from 1 to 10000 microns at 12 wavelengths between 8 and 13 microns Calculations of the cirrus bulk scattering and absorption properties are performed for 30 size distributions obtained from various field campaigns for midlatitude and tropical cirrus cloud systems. Parameterization of these bulk scattering properties is carried out by using second-order polynomial functions for the extinction efficiency and the single-scattering albedo and the power law expression for the asymmetry parameter. We note that the volume-normalized extinction coefficient can be separated into two parts: one is inversely proportional to effective size and is independent of wavelength, and the other is the wavelength-dependent effective extinction efficiency. Unlike conventional parameterization efforts, the present parameterization scheme is more accurate because only the latter part of the volume-normalized extinction coefficient is approximated in terms of an analytical expression. After averaging over size distribution, the single-scattering albedo is shown to decrease with an increase in effective size for wavelengths shorter than 10.0 microns whereas the opposite behavior is observed for longer wavelengths. The variation of the asymmetry parameter as a function of effective size is substantial when the effective size is smaller than 50 microns. For effective sizes larger than 100 microns, the asymmetry parameter approaches its asymptotic value. The results derived in this study can be useful to remote sensing applications involving IR window bands under cirrus cloud conditions.

Yang, Ping↗

DOE OSTI2026

EvoDiffMol: evolutionary diffusion framework for 3D molecular design with optimized properties

Designing molecules with specific target properties remains a fundamental challenge in computational chemistry. While existing approaches show promise, most rely on simplified representations like SMILES strings or 2D graphs that lack essential three-dimensional geometric information. We present EvoDiffMol, a computational framework that integrates evolutionary algorithms with three-dimensional diffusion models for property-driven molecular generation. The method operates through adaptive evolutionary optimization, where population-based selection guides the generation process toward desired property landscapes. EvoDiffMol supports both unconstrained molecular design and scaffold-constrained generation that preserves fixed substructures while optimizing complementary regions. Comprehensive evaluation demonstrates exceptional performance, achieving the highest drug-likeness score (0.94) among all compared state-of-the-art methods while maintaining excellent validity, uniqueness, and novelty. Beyond single property optimization, the framework demonstrates flexible multi-property optimization capabilities, simultaneously controlling multiple molecular descriptors including synthetic accessibility, lipophilicity, topological polar surface area, and clinically relevant ADMET properties such as cardiotoxicity (hERG) and intestinal permeability (Caco-2). This adaptability spans from simple descriptors to practical pharmaceutical endpoints without requiring complete model retraining. The framework achieves precise control over target property values, generating molecules with properties closely matching specified targets for both single and multiple descriptors. Scaffold-constrained experiments preserve fixed molecular cores while maintaining effective property optimization. The three-dimensional representation offers advantages in maintaining structural validity during iterative optimization, with potential for geometry-aware applications in materials science and drug discovery.

3D molecular generation↗

DOE OSTI2026

Learning neural representations for X-ray ptychography reconstruction with unknown probes

X-ray ptychography provides exceptional nanoscale resolution and is widely applied in materials science, biology, and nanotechnology. However, its full potential is constrained by the critical challenge of accurately reconstructing images when the illuminating probe is unknown. Conventional iterative methods and deep learning approaches are often suboptimal, particularly under the low-signal conditions inherent to low-dose and high-speed experiments. These limitations compromise reconstruction fidelity and restrict the broader adoption of the technique. In this work, we introduce the Ptychographic Implicit Neural Representation (PtyINR), a self-supervised framework that simultaneously addresses the object- and probe-recovery problem. By parameterizing both as continuous neural representations, PtyINR performs end-to-end reconstruction directly from raw diffraction patterns without requiring any pre-characterization of the probe. Extensive evaluations demonstrate that PtyINR achieves superior reconstruction quality on both simulated and experimental data, with remarkable robustness under challenging low-signal conditions. Furthermore, PtyINR offers a generalizable, physics-informed framework for addressing probe-dependent inverse problems, making it applicable to a wide range of computational microscopy problems.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Large inverse Faraday effect for Rydberg states of free atoms and isolated donors in semiconductors

We report on the induction of magnetization in Rydberg systems by means of the inverse Faraday effect and propose the appearance of the effect in two such systems: Rydberg atoms proper and shallow dopants in semiconductors. Rydberg atoms are characterized by a large orbital radius. This large radius gives such excited states a large angular moment, which when driven with circularly polarized light translates to a large effective magnetic field $\mathscr{B}$ eff . We calculate this effect to generate effective magnetic fields of O⁡(1⁢ µ⁢T)×($\frac{ω}{1THz}$) -1 ⁢ ($\frac{\mathscr{I}}{10Wcm^{-2}}$)⁢n 4 in the Rydberg states of atoms such as Rb and Cs for off-resonant photon beams with frequency ω and intensity $\mathscr{I}$ expressed in units of the denominators and n the principal quantum number. Additionally, terahertz spectroscopy of phosphorus-doped silicon reveals a large cross section for excitation of shallow dopants to Rydberg-like states, which even for small n have the potential to be driven similarly with circularly polarized light to produce an even larger magnetization. Our theoretical calculations estimate $\mathscr{B}$ eff as O⁡(10 2 T) for Si:P with a beam intensity of 10 8 Wcm -2 .

36 MATERIALS SCIENCE↗

DOE OSTI2025

Multi-mode THz quantum-cascade VECSELs based on disordered metasurfaces

Quantum-cascade vertical-external-cavity surface-emitting-lasers (VECSELs) based on disordered amplifying metasurfaces are demonstrated and explored as potential broadband, multi-mode THz sources. The disorder is introduced along one spatial axis of the metasurface by pseudo-randomly varying the width of its resonant ridge antennas. Compared to a quantum-cascade (QC) VECSEL based on a uniform metasurface, the disordered structure supports much more localized transverse modes with reduced spatial overlap within the QC gain material. This localization is hypothesized to facilitate the spatial hole burning of the gain material and, therefore, enable multi-mode lasing, particularly for short cavities on the order of a few wavelengths. Several devices have been fabricated and shown to differ from uniform QC-VECSELs in a few key ways, possessing highly nonlinear light-current characteristics, angle-dependent emission spectra and broadband multi-mode lasing. At most, 17 modes are simultaneously observed, spanning 680 GHz. The number of VECSEL modes is shown to have an inverse relationship with the cavity length, which is attributed to increased diffractive losses in the open plano-plano cavity. As the cavity length is tuned, the device emits over a quasi-continuous band from 3.15 to 3.97 THz or up to 4.24 THz with a longitudinal mode hop.

Morag, Eilam [Univ. of California, Los Angeles, CA↗

DOE OSTI2020

Uranium Mass Attribute System (UMAS) Study: Evaluation of Options against the Arms Control Evaluation Criteria

In this FY19 study, a range of possible measurement systems for confirming a U-235 mass attribute were identified. The systems were reviewed for their applicability in a potential future arms control agreement, and a subset of the eight most plausible systems were selected for further evaluation against the Arms Control Evaluation Criteria (ACEC). The evaluation results were then used to identify a primary and secondary recommended measurement system for confirming a U-235 mass attribute on warheads, nuclear components of warheads, and/or materials as part of a hypothetical arms control agreement.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2020

nPINNs: Nonlocal physics-informed neural networks for a parametrized nonlocal universal Laplacian operator. Algorithms and applications

Physics-informed neural networks (PINNs) are effective in solving inverse problems based on differential and integro-differential equations with sparse, noisy, unstructured, and multifidelity data. PINNs incorporate all available information, including governing equations (reflecting physical laws), initial-boundary conditions, and observations of quantities of interest, into a loss function to be minimized, thus recasting the original problem into an optimization problem. In this paper, we extend PINNs to parameter and function inference for integral equations such as nonlocal Poisson and nonlocal turbulence models, and we refer to them as nonlocal PINNs (nPINNs). The contribution of the paper is three-fold. First, we propose a unified nonlocal Laplace operator, which converges to the classical Laplacian as one of the operator parameters, the nonlocal interaction radius $\delta$ goes to zero, and to the fractional Laplacian as $\delta$ goes to infinity. This universal operator forms a super-set of classical Laplacian and fractional Laplacian operators and, thus, has the potential to fit a broad spectrum of data sets. We also provide theoretical convergence rates with respect to $\delta$ and verify them via numerical experiments. Second, we use nPINNs to estimate the two parameters, $\delta$ and $\alpha$, characterizing the kernel of the unified operator. The strong non-convexity of the loss function yielding multiple (good) local minima reveals the occurrence of the operator mimicking phenomenon, that is, different pairs of estimated parameters could produce multiple solutions of comparable accuracy. Third, we propose another nonlocal operator with spatially variable order $\alpha(y)$, which is more suitable for modeling turbulent Couette flow. Our results show that nPINNs can jointly infer this function as well as $\delta$. More importantly, these parameters exhibit a universal behavior with respect to the Reynolds number, a finding that contributes to our understanding of nonlocal interactions in wall-bounded turbulence.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

nPINNs: nonlocal Physics-Informed Neural Networks for a parametrized nonlocal universal Laplacian operator. Algorithms and Applications

Physics-informed neural networks (PINNs) are effective in solving inverse problems based on differential and integro-differential equations with sparse, noisy, unstructured, and multifidelity data. PINNs incorporate all available information, including governing equations (reflecting physical laws), initial-boundary conditions, and observations of quantities of interest, into a loss function to be minimized, thus recasting the original problem into an optimization problem. In this paper, we extend PINNs to parameter and function inference for integral equations such as nonlocal Poisson and nonlocal turbulence models, and we refer to them as nonlocal PINNs (nPINNs). The contribution of the paper is three-fold. First, we propose a unified nonlocal Laplace operator, which converges to the classical Laplacian as one of the operator parameters, the nonlocal interaction radius δ goes to zero, and to the fractional Laplacian as δ goes to infinity. This universal operator forms a super-set of classical Laplacian and fractional Laplacian operators and, thus, has the potential to fit a broad spectrum of data sets. We provide theoretical convergence rates with respect to δ and verify them via numerical experiments. Second, we use nPINNs to estimate the two parameters, δ and α, characterizing the kernel of the unified operator. The strong non-convexity of the loss function yielding multiple (good) local minima reveals the occurrence of the operator mimicking phenomenon, that is, different pairs of estimated parameters could produce multiple solutions of comparable accuracy. Third, we propose another nonlocal operator with spatially variable order α(γ), which is more suitable for modeling turbulent Couette flow. Our results show that nPINNs can jointly infer this function as well as δ. More importantly, these parameters exhibit a universal behavior with respect to the Reynolds number, a finding that contributes to our understanding of nonlocal interactions in wall-bounded turbulence.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Toward the implementation of self-powered, wireless, real-time reactor power sensing

The successful development of real-time, self-powered, wireless reactor power sensing technology would enable key operating parameters of every fuel assembly in a commercial reactor core to be continuously monitored, and potentially be utilized for applications such as closed-loop reactor control. This paper discusses the expansion of successful work on the application of Self Powered Neutron Detectors (SPND) for reactor power monitoring and the wireless transmission of these detector signals using advanced vacuum micro-electronic (VME) transmitter technology developed by Westinghouse in collaboration with the Penn State University Radiation Science and Engineering Center. Results demonstrate that this technology may be successfully applied via long-term testing in the Penn State TRIGA reactor. SPND are inherently slower than, for example, ion chambers due to their dependence on radioactive decay to generate a signal. Additional research developed delay compensation algorithms to accelerate the response of these detectors for use in near-real-time closed-loop reactor control. Initial results indicate that practical signal acceleration can be obtained digitally or with an equivalent analog circuit. Future research will apply an inverse model of the sensor’s balance differential equations to more-effectively accelerate the SPND signal. Use of inverse models will also prove to be adaptive in the sense that time-dependent burn-up of these detectors, due to neutron activation of the detector material, can be modeled and applied in the acceleration algorithm.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

Shedding light on shadow generalized parton distributions

The feasibility of extracting generalized parton distributions (GPDs) from deeply virtual Compton scattering (DVCS) data has recently been questioned because of the existence of an infinite set of so-called “shadow GPDs” (SGPDs). These SGPDs depend on the process and manifest as multiple solutions (at a fixed scale 𝑄 2 ) to the inverse problem that needs to be solved to infer GPDs from DVCS data. SGPDs therefore pose a significant challenge for extracting GPDs from DVCS data. With this motivation we study the extent to which QCD evolution can provide constraints on SGPDs. This is possible because the known classes of SGPDs begin to contribute to observables after evolution, and can then be constrained (at the input scale 𝑄$^{2}_{0}$) by data that has a finite 𝑄 2 range. The impact that SGPDs could have on determining the total angular momentum, pressure and sheer force distributions, and tomography is also discussed. We find that 𝑄 2 evolution, given empirical data over a wide range of skewness (𝜉 ) and 𝑄 2 scales, constrains the SGPDs studied at low 𝑥 and low 𝜉. If this finding generalizes to all SGPDs—and we have not been able to find any SGPDs with qualitatively different behavior—then this potentially makes extraction of GPDs from DVCS possible over a limited range of 𝑥 and 𝜉.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Rapid Patterning and Advanced Device Structures for Low Cost Manufacturable Crystalline Si IBC Cells

Recent record efficiency Si cells have had an interdigitated back contact (IBC) design where both positive and negative contacts are fabricated on the back side of the Si wafer. Many industry groups have investigated IBC cells but used photolithography to pattern the rear contacts although it is considered impractical for low cost, high volume manufacturing. Alternative patterning methods using lasers and mechanical masking have been utilized in fabrication of patterned regions in IBC Si solar cells to replace photolithography. Another exciting advance in Si solar cell technology has been replacing the high temperature diffusion of doped regions inside the crystalline Si wafer with low temperature deposition of very thin layers of doped amorphous hydrogenated Si (a-Si:H) on the Si wafer. This is called a Si heterojunction (HJ) device. The a-Si:H provides excellent passivation of surface defects and has produced the highest open circuit voltages (VOC) of any Si solar cell device structure. The Institute of Energy Conversion (IEC) demonstrated the first IBC-HJ solar cell combining these two strategies in 2007 and has fabricated IBC-HJ cells with 20% efficiency using three photolithography steps. Despite the demonstrated efficiency potential of this device by industry groups (>26%) there is no commercial production because of the challenges of patterning and processing the structure in an industrial environment. Our work sought to address that challenge. The objective of this 3 year project was to develop the processing for the IBC-HJ Si solar cell using lasers for patterning and contact formation instead of photolithography. Laser patterning enables rapid, contactless manufacturing of patterned regions. We intensively studied laser fired contacts, laser patterning of the a-Si multi-layer stacks and metal layers and the use of plasma shadow masks. After an exhaustive focus in the first year on the laser fired emitter (LFE) and contact (LFC), we were unable to achieve VOC greater than 660 mV, compared to the 720 mV required to meet our milestones. We discovered that an additional issue with our original IBC structure was the presence of an inversion layer at the back surface connecting the p and n regions which reduced the VOC and fill factor (FF). We developed innovative methods for characterizing the inversion layer. These two limitations in the original design lead to development of a new IBC-HJ process sequence and device structure which we called Plasma Masked Laser Processed (PMLP). It retained the original high efficiency features including manufacturability. The LFC was replaced with a standard n-type a-Si HJ contact. The inversion layer was eliminated by replacing the previous p-type stack in the gap with an n-type or SiN stack. The PMLP used laser ablation of a multi-layer a-Si stack followed by chemical etching to open the n-contact. It required deposition of a patterned stack through a mask in the plasma deposition chamber. This turned out to be a source of significant problems due to inevitable unwanted deposition ‘leakage’ under the mask. This formed a blocking contact on the emitter which significantly reduced Voc and FF. Several iterations in PMLP device structure and chemical etching steps resulted in a large improvements, e.g. the efficiency increasing from 3 to 15% and Voc from 450 to 660 mV but they were unable to completely eliminate it. The best IBC-HJ device we fabricated had only 15% efficiency. For perspective, our standard FHJ devices had 20% efficiency.

14 SOLAR ENERGY↗

DOE OSTI2021

Novel estimation of aerosol processes with particle size distribution measurements: a case study with the TOMAS algorithm v1.0.0

Atmospheric aerosol microphysical processes are a significant source of uncertainty in predicting climate change. Specifically, aerosol nucleation, emissions, and growth rates, which are simulated in chemical transport models to predict the particle size distribution, are not understood well. However, long-term size distribution measurements made at several ground-based sites across Europe implicitly contain information about the processes that created those size distributions. This work aims to extract that information by developing and applying an inverse technique to constrain aerosol emissions as well as nucleation and growth rates based on hourly size distribution measurements. We developed an inverse method based upon process control theory into an online estimation technique to scale aerosol nucleation, emissions, and growth so that the model–measurement bias in three measured aerosol properties exponentially decays. The properties, which are calculated from the measured and predicted size distributions, used to constrain aerosol nucleation, emission, and growth rates are the number of particles with a diameter between 3 and 6 nm, the number with a diameter greater than 10 nm, and the total dry volume of aerosol ( N 3–6 , N 10 , V dry ), respectively. In this paper, we focus on developing and applying the estimation methodology in a zero-dimensional “box” model as a proof of concept before applying it to a three-dimensional simulation in subsequent work. The methodology is first tested on a dataset of synthetic and perfect measurements that span diverse environments in which the true particle emissions, growth, and nucleation rates are known. The inverse technique accurately estimates the aerosol microphysical process rates with an average and maximum error of 2 % and 13 %, respectively. Next, we investigate the effect that measurement noise has on the estimated rates. The method is robust to typical instrument noise in the aerosol properties as there is a negligible increase in the bias of the estimated process rates. Finally, the methodology is applied to long-term datasets of in situ size distribution measurements in western Europe from May 2006 through June 2007. At Melpitz, Germany, and Hyytiälä, Finland, the average diurnal profiles of estimated 3 nm particle formation rates are reasonable, having peaks near noon local time with average peak values of 1 and 0.15 cm –3 s –1 , respectively. The normalized absolute error in estimated N 3–6 , N 10 , and V dry at three European measurement sites is less than 15 %, showing that the estimation framework developed here has potential to decrease model–measurement bias while constraining uncertain aerosol microphysical processes.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1993

Steady induction effects in geomagnetism. Part 1C: Geomagnetic estimation of steady surficial core motions: Application to the definitive geomagnetic reference field models

In the source-free mantle/frozen-flux core magnetic earth model, the non-linear inverse steady motional induction problem was solved using the method presented in Part 1B. How that method was applied to estimate steady, broad-scale fluid velocity fields near the top of Earth's core that induce the secular change indicated by the Definitive Geomagnetic Reference Field (DGRF) models from 1945 to 1980 are described. Special attention is given to the derivation of weight matrices for the DGRF models because the weights determine the apparent significance of the residual secular change. The derived weight matrices also enable estimation of the secular change signal-to-noise ratio characterizing the DGRF models. Two types of weights were derived in 1987-88: radial field weights for fitting the evolution of the broad-scale portion of the radial geomagnetic field component at Earth's surface implied by the DGRF's, and general weights for fitting the evolution of the broad-scale portion of the scalar potential specified by these models. The difference is non-trivial because not all the geomagnetic data represented by the DGRF's constrain the radial field component. For radial field weights (or general weights), a quantitatively acceptable explication of broad-scale secular change relative to the 1980 Magsat epoch must account for 99.94271 percent (or 99.98784 percent) of the total weighted variance accumulated therein. Tolerable normalized root-mean-square weighted residuals of 2.394 percent (or 1.103 percent) are less than the 7 percent errors expected in the source-free mantle/frozen-flux core approximation.

Voorhies, Coerte V.↗

NASA NTRS1996

Spectroscopic Diagnostics and an Arc Jet Heated Air Plasma

Spectral radiation measurements were made in the range of 200 to 900 nm across a section of the plenum of an arc jet wind tunnel using a series of optical fibers. The spectra contained line radiation from Oxygen and Nitrogen atoms and molecular radiation from N2(+), N2, and NO. Abel inversion technique is used to obtain radial distribution of the spectra. The analysis yielded radial profiles of the electronic excitation, vibrational and rotational temperatures of the flow field. Spectral fitting yielded branching ratios for different vibrational and rotational bands. Relatively mild flow conditions, i.e. enthalpy and mass flow rate, were used for prolonged measurements of up to and over two hours to establish the best experimental methods of temperature determinations. Signal to noise was improved by at least an order of magnitude enabling the molecular vibrational band heads of N2(+) (first negative system), N2 (second positive system), and NO (beta, gamma, delta, and epsilon systems) to be resolved in the lower ultraviolet wavelength regions. The increased signal to noise ratio also enabled partial resolution of the rotational lines of N2(+) and N2 in certain regions of minimal overlap. Comparison of the spectra with theoretical models such as the NEQAIR2 code are presented and show potential for fitting the spectra when reliable calibration is performed for the complete wavelength range.

Mack, Larry Howard, Jr.↗