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DOE OSTI2016

COLLISIONLESS ELECTRON–ION SHOCKS IN RELATIVISTIC UNMAGNETIZED JET–AMBIENT INTERACTIONS: NON-THERMAL ELECTRON INJECTION BY DOUBLE LAYER

The course of non-thermal electron ejection in relativistic unmagnetized electron–ion shocks is investigated by performing self-consistent particle-in-cell simulations. The shocks are excited through the injection of a relativistic jet into ambient plasma, leading to two distinct shocks (referred to as the trailing shock and leading shock) and a contact discontinuity. The Weibel-like instabilities heat the electrons up to approximately half of the ion kinetic energy. The double layers formed in the trailing and leading edges then accelerate the electrons up to the ion kinetic energy. The electron distribution function in the leading edge shows a clear, non-thermal power-law tail which contains ∼1% of electrons and ∼8% of the electron energy. Its power-law index is −2.6. The acceleration efficiency is ∼23% by number and ∼50% by energy, and the power-law index is −1.8 for the electron distribution function in the trailing edge. The effect of the dimensionality is examined by comparing the results of three-dimensional simulations with those of two-dimensional simulations. The comparison demonstrates that electron acceleration is more efficient in two dimensions.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

SU-E-I-84: Accuracy Comparison of Multi-Modality Image-Based Volumes of Rodent Solid Tumors Using In-Air Micro-CT Image Volume

Purpose: Tumor volume is considered as a better predictor for therapy response monitoring and tumor staging over Response Evaluation Criteria In Solid Tumors (RECIST) or World Health Organization (WHO) criteria. In this study, the accuracy of subcutaneous rodent tumor volumes using preclinical magnetic resonance imaging (MRI), micro-computed tomography (micro-CT) and ultrasound (US) equipment and with an external caliper was compared using in-air micro-CT image volume of excised tumors determined as reference tumor volume in our prior study. Methods: MR, US and micro-CT images of subcutaneous SCC4 head and neck tumor xenografts were acquired 4, 6, 9, 11 and 13 days after tumor cell inoculation. Before MR and US scans, caliper measurements were made. After tumors were excised, in-air micro-CT imaging and ex vivo caliper measurements were performed. Tumor volumes were calculated using formula V = (π/6)*a*b*c where a, b and c are the maximum diameters in three perpendicular dimensions determined by the three image modalities and caliper, and compared with reference tumor volume by linear regression analysis as well as Bland-Altman plots. A one-way Analysis of Variance (ANOVA) test was also performed to compare volumes among caliper measurements. Results: The correlation coefficients (R2) of the regression lines for tumor volumes measured by the three imaging modalities and caliper were 0.9939, 0.9669, 0.9806, 0.9274, 0.9619 and 0.9819 for MRI, US and micro-CT, caliperbeforeMRI, caliperbeforeUS and ex vivo caliper respectively. In Bland-Altman plots, the average of tumor volume difference from reference tumor volume (bias) was significant for caliper and micro- CT, but not for MRI and US. Comparison of caliper measurements showed a significant difference (p < 0.05). Conclusion: Using the in-air micro-CT image volume, tumor volume measured by MRI was the most accurate among the three imaging modalities. In vivo caliper volume measurements showed unreliability while ex vivo caliper measurements reduced errors.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2014

Bridging the Transition from Mesoscale to Microscale Turbulence in Numerical Weather Prediction Models

With a focus towards developing multiscale capabilities in numerical weather prediction models, the specific problem of the transition from the mesoscale to the microscale is investigated. For that purpose, idealized one-way nested mesoscale to large-eddy simulation (LES) experiments were carried out using the Weather Research and Forecasting model framework. It is demonstrated that switching from one-dimensional turbulent diffusion in the mesoscale model to three-dimensional LES mixing does not necessarily result in an instantaneous development of turbulence in the LES domain. However, very large fetches are needed for the natural transition to turbulence to occur. The computational burden imposed by these long fetches necessitates the development of methods to accelerate the generation of turbulence on a nested LES domain forced by a smooth mesoscale inflow. To that end, four new methods based upon finite amplitude perturbations of the potential temperature field along the LES inflow boundaries are developed, and investigated under convective conditions. Each method accelerated the development of turbulence within the LES domain, with two of the methods resulting in a rapid generation of production and inertial range energy content associated to microscales that is consistent with non-nested simulations using periodic boundary conditions. The cell perturbation approach, the simplest and most efficient of the best performing methods, was investigated further under neutral and stable conditions. Successful results were obtained in all the regimes, where satisfactory agreement of mean velocity, variances and turbulent fluxes, as well as velocity and temperature spectra, was achieved with reference non-nested simulations. In contrast, the non-perturbed LES solution exhibited important energy deficits associated to a delayed establishment of fully-developed turbulence. The cell perturbation method has negligible computational cost, significantly accelerates the generation of realistic turbulence, and requires minimal parameter tuning, with the necessary information relatable to mean inflow conditions provided by the mesoscale solution.

17 WIND ENERGY↗

DOE OSTI2016

Power generation study of luminescent solar concentrator greenhouse

A Luminescent Solar Concentrator (LSC) greenhouse and an identical control greenhouse were constructed with photovoltaic (PV) cells attached to the roof panels of both structures. The placement and types of PV cells used in the LSC panels were varied for performance comparisons. Solar power generation was monitored continuously for one year, with leading LSC panels exhibiting a 37% increase in power production compared to the reference. The 22.3 m 2 greenhouse was projected to generate a total of 1342 kWh per year, or 57.4 kWh/m 2 if it were composed solely of the leading panel of Criss Cross panel design. The LSC panels also showed no signs of degradation throughout the trial demonstrating the material's robustness in field conditions.

14 SOLAR ENERGY↗

DOE OSTI2017

Research Progress towards Understanding the Unique Interfaces between Concentrated Electrolytes and Electrodes for Energy Storage Applications

The electrolyte is an indispensable component in all electrochemical energy storage and conversion devices with batteries being a prime example. While most research efforts have been pursued on the materials side, the progress for the electrolyte is slow due to the decomposition of salts and solvents at low potentials, not to mention their complicated interactions with the electrode materials. The general properties of bulk electrolytes such as ionic conductivity, viscosity, and stability all affect the cell performance. However, for a specific electrochemical cell in which the cathode, anode, and electrolyte are optimized, it is the interface between the solid electrode and the liquid electrolyte, generally referred to as the solid electrolyte interphase (SEI), that dictates the rate of ion flow in the system. The commonly used electrolyte is within the range of 1–1.2 m based on the prior optimization experience, leaving the high concentration region insufficiently recognized. Recently, electrolytes with increased concentration (>1.0 m ) have received intensive attention due to quite a few interesting discoveries in cells containing concentrated electrolytes. The formation mechanism and the nature of the SEI layers derived from concentrated electrolytes could be fundamentally distinct from those of the traditional SEI and thus enable unusual functions that cannot be realized using regular electrolytes. In this article, we provide an overview on the recent progress of high concentration electrolytes in different battery chemistries. The experimentally observed phenomena and their underlying fundamental mechanisms are discussed. New insights and perspectives are proposed to inspire more revolutionary solutions to address the interfacial challenges.

25 ENERGY STORAGE↗

DOE OSTI2024

Transport–Friendly Microstructure in SSC–MEA: Unveiling the SSC Ionomer–Based Membrane Electrode Assemblies for Enhanced Fuel Cell Performance

The significant role of the cathodic binder in modulating mass transport within the catalyst layer (CL) of fuel cells is essential for optimizing cell performance. This investigation focuses on enhancing the membrane electrode assembly (MEA) through the utilization of a short-side-chain perfluoro-sulfonic acid (SSC-PFSA) ionomer as the cathode binder, referred to as SSC-MEA. This study meticulously visualizes the distinctive interpenetrating networks of ionomers and catalysts, and explicitly clarifies the triple-phase interface, unveiling the transport-friendly microstructure and transport mechanisms inherent in SSC-MEA. The SSC-MEA exhibits advantageous microstructural features, including a better-connected ionomer network and well-organized hierarchical porous structure, culminating in superior mass transfer properties. Relative to the MEA bonded by long-side-chain perfluoro-sulfonic acid (LSC-PFSA) ionomer, noted as LSC-MEA, SSC-MEA exhibits a notable peak power density (1.23 W cm –2 ), efficient O 2 transport, and remarkable proton conductivity (65% improvement) at 65 °C and 70% relativity humidity (RH). These findings establish crucial insights into the intricate morphology-transport-performance relationship in the CL, thereby providing strategic guidance for developing highly efficient MEA.

25 ENERGY STORAGE↗

DOE OSTI2022

A Cartesian-diffusion Langevin method for hybrid kinetic-fluid Coulomb scattering in particle-in-cell plasma simulations

A novel, drag-diffusion Langevin method of hybrid, kinetic-fluid Coulomb scattering in plasmas is presented. Unlike previous methods, the frictional drag is always applied in the simulation frame of reference. The velocity-space diffusion is performed in the stationary-fluid frame of reference when anisotropic, and in the laboratory frame when isotropic. While the general method is mass-ratio independent, we focus on interactions of kinetic-ions and fluid-electrons to show first-order modifications to the electron velocity distribution function that are an important correction for the accurate calculation of electric resistivity. Inclusion of sub-cycling and a limit to the maximum collision frequency is shown to allow for arbitrarily large timesteps without numerical failure. Here the Langevin method is compared with a grid-based binary method and found to require a much less restrictive timestep in cases of ion–electron slowing and temperature equilibration; this finding differs from previous work and is dependent on the mass ratio.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2017

Chapter 1: Reliably Measuring the Performance of Emerging Photovoltaic Solar Cells

Determining the power conversion efficiency of photovoltaic solar cells, especially those from new, emerging areas of technology, is important if advances in performance are to be made. However, although precise measurements are important, it is the accuracy of these types of measurements that can cause issues. Accurate measurements not only promote the development of new technology platforms, but they also enable comparisons with established technologies and allow assessments of advancements within the same field. This chapter provides insights into how measurements can be made with reasonable accuracy using both the components of the measuring system and a good protocol to acquire good data. The chapter discusses how to measure a calibrated lamp spectrum, determine a spectral mismatch factor, identify the correct reference cell and filter, define the illuminated active area, measure J-V curves to avoid any hysteresis effects, take note of sample degradation issues and avoid the temptation to artificially enhance efficiency data.

14 SOLAR ENERGY↗

DOE OSTI2015

Toward “optimal” integration of terrestrial biosphere models

Multimodel ensembles (MME) are commonplace in Earth system modeling. Here we perform MME integration using a 10-member ensemble of terrestrial biosphere models (TBMs) from the Multiscale synthesis and Terrestrial Model Intercomparison Project (MsTMIP). We contrast optimal (skill based for present-day carbon cycling) versus naive (one model-one vote) integration. MsTMIP optimal and naive mean land sink strength estimates (-1.16 versus -1.15 Pg C per annum respectively) are statistically indistinguishable. This holds also for grid cell values and extends to gross uptake, biomass, and net ecosystem productivity. TBM skill is similarly indistinguishable. The added complexity of skill-based integration does not materially change MME values. This suggests that carbon metabolism has predictability limits and/or that all models and references are misspecified. Finally, resolving this issue requires addressing specific uncertainty types (initial conditions, structure, and references) and a change in model development paradigms currently dominant in the TBM community.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2018

An improved target velocity sampling algorithm for free gas elastic scattering

We present an improved algorithm for sampling the target velocity when simulating elastic scattering in a Monte Carlo neutron transport code that correctly accounts for the energy dependence of the scattering cross section. The algorithm samples the relative velocity directly, thereby avoiding a potentially inefficient rejection step based on the ratio of cross sections. Here, we have shown that this algorithm requires only one rejection step, whereas other methods of similar accuracy require two rejection steps. The method was verified against stochastic and deterministic reference results for upscattering percentages in 238 U. Simulations of a light water reactor pin cell problem demonstrate that using this algorithm results in a 3% or less penalty in performance when compared with an approximate method that is used in most production Monte Carlo codes

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2018

Comparison and Analysis of Instruments Measuring Plane-of-Array Irradiance for One-Axis Tracking Systems: Preprint

A variety of sensors are studied on a one-axis tracking surface and a horizontal surface in Golden, Colorado, and Eugene, Oregon. This is the first year of a long-term study that will look at not only a comparison between the instruments but also the longer-term degradation in calibration and/or performance. Initially, results from each location will be analyzed, and then results will be compared and contrasted between the two locations. A quick comparison at Eugene indicates that reference solar cells seem to compare better against a secondary standard pyranometer on a one-axis tracker than photodiode-based pyranometers. More study is needed to characterize and confirm this finding.

14 SOLAR ENERGY↗

DOE OSTI2016

A light-emitting diode- (LED-) based absorption sensor for simultaneous detection of carbon monoxide and carbon dioxide

Here, a sensor was developed for simultaneous measurements of carbon monoxide (CO) and carbon dioxide (CO 2 ) fluctuations in internal combustion engine exhaust gases. This sensor utilizes low-cost and compact light-emitting diodes (LEDs) that emit in the 3–5 µm wavelength range. An affordable, fast response sensor that can measure these gases has a broad application that can lead to more efficient, fuel-flexible engines and regulation of harmful emissions. Light emission from LEDs is spectrally broader and more spatially divergent when compared to that of lasers, which presented many design challenges. Optical design studies addressed some of the non-ideal characteristics of the LED emissions. Measurements of CO and CO 2 were conducted using their fundamental absorption bands centered at 4.7 µm and 4.3 µm, respectively, while a 3.6 µm reference LED was used to account for scattering losses (due to soot, window deposits, etc.) common to the three measurement LEDs. Instrument validation and calibration was performed using a laboratory flow cell and bottled-gas mixtures. The sensor was able to detect CO 2 and CO concentration changes as small as 30 ppm and 400 ppm, respectively. Because of the many control and monitor species with infra-red absorption features, which can be measured using the strategy described, this work demonstrates proof of concept for a wider range of fast (250 Hz) and low-cost sensors for gas measurement and process monitoring.

47 OTHER INSTRUMENTATION↗

DOE OSTI2026

Towards a Unified Low-Cost Flow Plate, Flow-Field, PTL Solution for Proton Exchange Membrane Electrolyzers

Proton exchange membrane (PEM) water electrolysis is a highly efficient method for hydrogen production. Research cells typically consist of one proton exchange membrane, two catalyst layers, two porous transport layers, two flow-field plates, and two endplates. In commercial systems, the machined flow-field plates that are employed in research cells are typically replaced by stamped parts or open mesh material solutions to reduce manufacturing cost at scale. Nonetheless, the cell contains about 8 total interfaces: bipolar plate / flow plate material / porous transport medium / electrode / membrane / electrode / porous transport medium / flow plate material / bipolar plate. All these materials and interfaces need to be optimized for maximum performance and efficiency. Reducing the amount of interfaces by combining individual cell components directly benefits the fabrication cost (by reducing the parts count and the needs for surface coatings) and the electrochemical performance (by reducing ohmic losses). We have designed a novel PEM electrolysis cell with a piece of channeled titanium felt functioning as both the anode flow-field and the PTL, referred to as the channeled diffusion layer (CDL). The pores of the felt facilitate both in-plane and through-plane diffusion, ensuring maximum catalyst utilization while also minimizing mass transport loss. The titanium felt can be mass manufactured with existing stamping and forming methods and is therefore a promising candidate to reduce the capital cost of PEM electrolyzers whilst improving hydrogen production efficiency. Experiments conducted with 3mg IrOx/cm2 loading MEAs have shown a approximately 40% boost in peak current by implementing the CDL design. Low catalyst-loading MEAs are being tested in ongoing experiments and their results will be discussed and compared.

08 HYDROGEN↗

DOE OSTI2013

Quantitative comparison between PGNAA measurements and MCNP calculations in view of the characterization of radioactive wastes in Germany and France

The Forschungszentrum Juelich GmbH (FZJ), together with the Aachen University Rheinisch-Westfaelische Technische Hochschule (RWTH) and the French Alternative Energies and Atomic Energy Commission (CEA Cadarache) are involved in a cooperation aiming at characterizing toxic and reactive elements in radioactive waste packages by means of Prompt Gamma Neutron Activation Analysis (PGNAA). The French and German waste management agencies have indeed defined acceptability limits concerning these elements in view of their projected geological repositories. A first measurement campaign was performed in the new Prompt Gamma Neutron Activation Analysis (PGNAA) facility called MEDINA, at FZJ, to assess the capture gamma-ray signatures of some elements of interest in large samples up to waste drums with a volume of 200 liter. MEDINA is the acronym for Multi Element Detection based on Instrumental Neutron Activation. This paper presents MCNP calculations of the MEDINA facility and quantitative comparison between measurement and simulation. Passive gamma-ray spectra acquired with a high purity germanium detector and calibration sources are used to qualify the numerical model of the crystal. Active PGNAA spectra of a sodium chloride sample measured with MEDINA then allow for qualifying the global numerical model of the measurement cell. Chlorine indeed constitutes a usual reference with reliable capture gamma-ray production data. The goal is to characterize the entire simulation protocol (geometrical model, nuclear data, and postprocessing tools) which will be used for current measurement interpretation, extrapolation of the performances to other types of waste packages or other applications, as well as for the study of future PGNAA facilities.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2012

Performance Testing using Silicon Devices - Analysis of Accuracy: Preprint

Accurately determining PV module performance in the field requires accurate measurements of solar irradiance reaching the PV panel (i.e., Plane-of-Array - POA Irradiance) with known measurement uncertainty. Pyranometers are commonly based on thermopile or silicon photodiode detectors. Silicon detectors, including PV reference cells, are an attractive choice for reasons that include faster timeresponse (10 us) than thermopile detectors (1 s to 5 s), lower cost and maintenance. The main drawback of silicon detectors is their limited spectral response. Therefore, to determine broadband POA solar irradiance, a pyranometer calibration factor that converts the narrowband response to broadband is required. Normally this calibration factor is a single number determined under clear-skyconditions with respect to a broadband reference radiometer. The pyranometer is then used for various scenarios including varying airmass, panel orientation and atmospheric conditions. This would not be an issue if all irradiance wavelengths that form the broadband spectrum responded uniformly to atmospheric constituents. Unfortunately, the scattering and absorption signature varies widely withwavelength and the calibration factor for the silicon photodiode pyranometer is not appropriate for other conditions. This paper reviews the issues that will arise from the use of silicon detectors for PV performance measurement in the field based on measurements from a group of pyranometers mounted on a 1-axis solar tracker. Also we will present a comparison of simultaneous spectral andbroadband measurements from silicon and thermopile detectors and estimated measurement errors when using silicon devices for both array performance and resource assessment.

14 SOLAR ENERGY↗

DOE OSTI2023

Design of an Online Electrochemical Mass Spectrometry System to Study Gas Evolution from Cells with Lean and Volatile Electrolytes

Gas evolution in high-energy Li-ion batteries remains a pervasive problem for a multitude of chemistries, jeopardizing the electrochemical performance and safety for consumers of electric vehicles. Many electrode–electrolyte degradation processes evolve gasses that may be detected in-situ with online electrochemical mass spectrometry (OEMS). In this work, details are provided for the setup and validation of an OEMS system that operates well under lean and volatile electrolyte conditions. Quite notably, the OEMS cells with only 40 µL of electrolyte and intermittent headspace sampling exhibit comparable electrochemical performance to flooded coin-cells. It is demonstrated that the onset time, shape, and magnitude of the gas evolution profiles calculated from mass spectrometer measurements match well to a known pressure reference through the use of an empirically determined fraction of removal. The off-gassing characteristics from a set of layered-oxide materials, NMC532, NMC811, and LNO, are used to further validate the OEMS setup against the literature. It is shown that many of the features present in the OEMS curves for equivalent systems from other groups are captured by this OEMS system. Finally, at an upper cut-off voltage of 4.4 V, LNO exhibits an intense release of CO 2 , O 2 , and CO gas relative to NMC532 and NMC811.

25 ENERGY STORAGE↗

DOE OSTI2021

Influence of Diffuse and Ground-Reflected Irradiance on the Spectral Modeling of Solar Reference Cells

Thermal Energy Storage (TES) is a key component for solar thermal applications to bridge the gap between the demand for thermal energy and the supply of solar energy, whose availability depends on the time of day and season. Thus, cost-effective packed-bed thermal containers filled with a solid storage medium have been proposed for high-temperature sensible heat storage as materials are abundant and relatively cheap. Thus, it is necessary to investigate their performance and temperature profiles during the charge-discharge cycle. Several models are available for this purpose. Typically, the more detailed a model, the greater the computational effort required to solve it, and hence a time-efficient model is needed to prevent excessively long computation times for long-term analysis. At the more basic level, the common Hughes E-NTU model and the less realistic simplified Infinite-NTU model are very important for their less time and computational effort. In this paper, the appropriateness of employing the Infinite-NTU model was evaluated to investigate the performance of a typical and scalable rock-bed TES as a case study. The results presented provide a methodology to quickly test the validity of the model and predict the temperature profile for the case under study. Accordingly, such simple charge-discharge cycle thermal performance predictions are important to plan, design, and rapidly deploy a reliable and economical solar thermal system for the supply of valuable heat to high-temperature demanding applications of power generation and industrial processes as part of a rapid shift towards non-polluting renewable energy. Keywords: Solar Thermal, TES, Packed-bed, NTU model, Temperature profile

PV modeling↗

DOE OSTI2016

Ternary PtRuPd/C catalyst for high-performance, low-temperature direct dimethyl ether fuel cells

Here, dimethyl ether (DME) is a promising alternative fuel option for direct-feed low-temperature fuel cells. Until recently, DME had not received the same attention as alcohol fuels, such as methanol or ethanol, despite its notable advantages. These advantages include a high theoretical open-cell voltage (1.18 V at 25 °C) that is similar to that of methanol (1.21 V), much lower toxicity than methanol, and no need for the carbon–carbon bond scission that is needed in ethanol oxidation. DME is biodegradable, has a higher energy content than methanol (8.2 vs. 6.1 kWh kg –1 ), and, like methanol, can be synthesized from recycled carbon dioxide. Although the performance of direct DME fuel cells (DDMEFCs) has progressed over the past few years, DDMEFCs have not been viewed as fully viable. In this work, we report much improved performance from the ternary Pt 55 Ru 35 Pd 10 /C anode catalyst, allowing DDMEFCs to compete directly with direct methanol fuel cells (DMFCs). We also report results involving binary Pt alloys as reference catalysts and an in situ infrared electrochemical study to better understand the mechanism of DME electro-oxidation on ternary PtRuPd/C catalysts.

30 DIRECT ENERGY CONVERSION↗