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DOE OSTI2023

Economic Evaluation of a Coupled Nuclear Power Plant and Hydrogen Production Facility: A Case Study

This study optimized the design sizes and operation of a power-to-hydrogen-to-power integrated energy system to allow a baseload power plant to operate flexibly in the energy market. In collaboration with a utility industry partner, the system, consisting of an electrolyzer, compressors, storage tank, and fuel cell, was optimized under conditions specific to the proposed project at the site of a nuclear power plant. The Design Integration and Synthesis Platform to Advance Tightly Coupled Hybrid Energy Systems (DISPATCHES) maximized net present value by optimizing sizing of components and dispatch decisions. Revenues included sale of electricity, capacity payments typical of the New York Independent System Operator, and the section 45V hydrogen production tax credit of the Inflation Reduction Act of 2022 (the tax credit was assumed to be available to legacy plants in the absence of clear guidance at present). Under default assumptions which excluded many capital expenditures, the base case optimized solution had a net present value of $\$$1.4 million over a 30 year lifetime, with a 0.365 MW fuel cell operating nearly continuously and 85% of revenues supplied by the hydrogen production tax credit (which was counted as a revenue regardless of profit, thus assuming credit monetization or offset of taxes within the larger firm was possible in all years). Beyond the base case, a sensitivity study elucidated drivers of the economics as capacity payment rate and hydrogen production tax credit rate vary. Additional sensitivity studies also extended results to variation of other, previously fixed parameters, including the fuel cell capital cost, and to imposition of further constraints. Optimization was also repeated for the default assumptions but recognizing tax credits upon use of hydrogen rather than upon its production, producing no change in the optimal solution. Most notably, capacity payments above $\$$15/kW-month drove optimal fuel cells multiple times larger than those with the default estimated capacity payment of $\$$2.5/kW-month (approaching 11 vs. 0.365 MW), and these larger fuel cells operated rarely (capacity factors of ~0.03). Furthermore, when the hydrogen production tax credit was provided for only 10 years, under the specific assumptions of this study (e.g., neither site preparation costs nor electrolyzer capital cost counted), the optimal solution avoided economic loss by ceasing system operation after the 10th year. Viewed broadly, this study demonstrated the capabilities of DISPATCHES, which can be user-adapted to serve other industrial case studies.

08 HYDROGEN↗

DOE OSTI2014

Parameters influencing the deposition of methylammonium lead halide iodide in hole conductor free perovskite-based solar cells

Perovskite is a promising light harvester for use in photovoltaic solar cells. In recent years, the power conversion efficiency of perovskite solar cells has been dramatically increased, making them a competitive source of renewable energy. An important parameter when designing high efficiency perovskite-based solar cells is the perovskite deposition, which must be performed to create complete coverage and optimal film thickness. This paper describes an in-depth study on two-step deposition, separating the perovskite deposition into two precursors. The effects of spin velocity, annealing temperature, dipping time, and methylammonium iodide concentration on the photovoltaic performance are studied. Observations include that current density is affected by changing the spin velocity, while the fill factor changes mainly due to the dipping time and methylammonium iodide concentration. Interestingly, the open circuit voltage is almost unaffected by these parameters. Hole conductor free perovskite solar cells are used in this work, in order to minimize other possible effects. This study provides better understanding and control over the perovskite deposition through highly efficient, low-cost perovskite-based solar cells.

36 MATERIALS SCIENCE↗

DOE OSTI2021

In Situ Recrystallization of Co-Evaporated Cu(In,Ga)Se2 Thin Films by Copper Chloride Vapor Treatment towards Solar Cell Applications

Cu(In,Ga)Se2 (or CIGS) thin films and devices were fabricated using a modified three-stage process. Using high deposition rates and a low temperature during the process, a copper chloride vapor treatment was introduced in between the second and third stages to enhance the films properties. X-ray diffraction and scanning electron microscopy demonstrate that drastic changes occur after this recrystallization process, yielding films with much larger grains. Secondary ion mass spectrometry shows that the depth profile of many elements is not modified (such as Cu, In and Se) while others change dramatically (such as Ga and Na). Because of the competing effects of these changes, not all parameters of the solar cells are enhanced, yielding an increase of 15% in the device efficiency at the most.

14 SOLAR ENERGY↗

DOE OSTI2019

Improvement of the CIGS solar cell performance: structure based on a ZnS buffer layer

Cu(In,Ga)Se{sub 2} (CIGS) based thin film solar cells are the most efficient thin-film solar cells today. The non-toxic and wide band-gap zinc sulphide (ZnS) is a promising material to replace the cadmium sulfide (CdS) as the buffer layer in CIGS based solar cells. In this work we present a simulation study of a CIGS based solar cell with a buffer layer of ZnS, using the simulator Silvaco-Atlas. Our primary simulation shows a 22.6% efficiency of the CIGS solar cell with the CdS buffer layer which is comparable to reported and highest experimental results. However, the simulated efficiency of the CIGS solar cell with the ZnS buffer layer as high as 23.54% was achieved. The effects of layer parameters like the thickness, the acceptor and donor densities of the CIGS absorber and ZnS buffer layers and the CBO on the photovoltaic parameters of the ZnS/CIGS solar cell are optimized in order to improve the performance of the ZnS/CIGS solar cell. The highest efficiency of 27.33% is achieved when the ZnS buffer and the CIGS absorber layers have thicknesses of 0.025 µm and 4 µm with acceptor and donor densities of 6 × 10{sup 17} cm{sup −3} and 10{sup 18} cm{sup −3}, respectively and a CBO in the range − 0.05 to 0.05 eV. The present results of simulation can help the development of the solar cells with higher conversion efficiency and low cost.

14 SOLAR ENERGY↗

DOE OSTI2013

A physical sciences network characterization of non-tumorigenic and metastatic cells

To investigate the transition from non-cancerous to metastatic from a physical sciences perspective, the Physical Sciences–Oncology Centers (PS-OC) Network performed molecular and biophysical comparative studies of the non-tumorigenic MCF-10A and metastatic MDA-MB-231 breast epithelial cell lines, commonly used as models of cancer metastasis. Experiments were performed in 20 laboratories from 12 PS-OCs. Each laboratory was supplied with identical aliquots and common reagents and culture protocols. Analyses of these measurements revealed dramatic differences in their mechanics, migration, adhesion, oxygen response, and proteomic profiles. Model-based multi-omics approaches identified key differences between these cells’ regulatory networks involved in morphology and survival. These results provide a multifaceted description of cellular parameters of two widely used cell lines and demonstrate the value of the PS-OC Network approach for integration of diverse experimental observations to elucidate the phenotypes associated with cancer metastasis.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2014

SU-E-T-146: Effects of Uncertainties of Radiation Sensitivity of Biological Modelling for Treatment Planning

Purpose: The aim of this study was to evaluate the distribution of uncertainty of cell survival by radiation, and assesses the usefulness of stochastic biological model applying for gaussian distribution. Methods: For single cell experiments, exponentially growing cells were harvested from the standard cell culture dishes by trypsinization, and suspended in test tubes containing 1 ml of MEM(2x10{sup 6} cells/ml). The hypoxic cultures were treated with 95% N{sub 2}−5% CO{sub 2} gas for 30 minutes. In vitro radiosensitization was also measured in EMT6/KU single cells to add radiosensitizer under hypoxic conditions. X-ray irradiation was carried out by using an Xray unit (Hitachi X-ray unit, model MBR-1505R3) with 0.5 mm Al/1.0 mm Cu filter, 150 kV, 4 Gy/min). In vitro assay, cells on the dish were irradiated with 1 Gy to 24 Gy, respectively. After irradiation, colony formation assays were performed. Variations of biological parameters were investigated at standard cell culture(n=16), hypoxic cell culture(n=45) and hypoxic cell culture(n=21) with radiosensitizers, respectively. The data were obtained by separate schedule to take account for the variation of radiation sensitivity of cell cycle. Results: At standard cell culture, hypoxic cell culture and hypoxic cell culture with radiosensitizers, median and standard deviation of alpha/beta ratio were 37.1±73.4 Gy, 9.8±23.7 Gy, 20.7±21.9 Gy, respectively. Average and standard deviation of D{sub 50} were 2.5±2.5 Gy, 6.1±2.2 Gy, 3.6±1.3 Gy, respectively. Conclusion: In this study, we have challenged to apply these uncertainties of parameters for the biological model. The variation of alpha values, beta values, D{sub 50} as well as cell culture might have highly affected by probability of cell death. Further research is in progress for precise prediction of the cell death as well as tumor control probability for treatment planning.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1971

Development of lithium diffused radiation resistant solar cells, part 2

The work performed to investigate the effect of various process parameters on the performance of lithium doped P/N solar cells is described. Effort was concentrated in four main areas: (1) the starting material, (2) the boron diffusion, (3) the lithium diffusion, and (4) the contact system. Investigation of starting material primarily involved comparison of crucible grown silicon (high oxygen content) and Lopex silicon (low oxygen content). In addition, the effect of varying growing parameters of crucible grown silicon on lithium cell output was also examined. The objective of the boron diffusion studies was to obtain a diffusion process which produced high efficiency cells with minimal silicon stressing and could be scaled up to process 100 or more cells per diffusion. Contact studies included investigating sintering of the TiAg contacts and evaluation of the contact integrity.

Payne, P. R.↗

DOE OSTI2016

Parameterized complex dielectric functions of CuIn 1−x Ga x Se 2 : applications in optical characterization of compositional non‐uniformities and depth profiles in materials and solar cells

Abstract In‐situ spectroscopic ellipsometry (SE) was employed to extract the complex dielectric functions ε = ε 1 + iε 2 over the spectral range of 0.75–6.5 eV for a set of polycrystalline CuIn 1− x Ga x Se 2 (CIGS) thin films with different alloy compositions x = [Ga]/{[In] + [Ga]}. For highest possible accuracy in ε for each CIGS thin film, specialized SE procedures were adopted including (i) deposition to a thickness of ~600 Å on smooth native oxide covered crystal silicon wafers, which minimizes the surface roughness on the film and thus the required corrections in data analysis, and (ii) measurement in‐situ , which minimizes ambient contamination and oxidation of the film surface. Assuming an analytical form for each of the ε spectra for these CIGS films, oscillator parameters were obtained in best fits, and these parameters were fit in turn to polynomials in x . With the resulting database of polynomial coefficients, the ε spectra for any composition of CIGS can be generated from the single parameter, x . In addition to enabling accurate contactless determination of bulk and surface roughness layer thicknesses of CIGS films by high speed multichannel SE, the database enables characterization of the composition and its profile with depth into these films, and even how the depth profile varies spatially within the plane of the films. In this study, depth profile parameters were found to correlate spatially with solar cell performance parameters. As a result, SE provides the capability of contactless compositional analysis of production‐scale CIGS photovoltaic modules at high speed. Copyright © 2016 John Wiley & Sons, Ltd.

Aryal, Puruswottam↗

NASA NTRS1985

Terrestrial photovoltaic cell process testing

The paper examines critical test parameters, criteria for selecting appropriate tests, and the use of statistical controls and test patterns to enhance PV-cell process test results. The coverage of critical test parameters is evaluated by examining available test methods and then screening these methods by considering the ability to measure those critical parameters which are most affected by the generic process, the cost of the test equipment and test performance, and the feasibility for process testing.

Burger, D. R.↗

DOE OSTI2016

Battery management system with distributed wireless sensors

A system for monitoring parameters of an energy storage system having a multiplicity of individual energy storage cells. A radio frequency identification and sensor unit is connected to each of the individual energy storage cells. The radio frequency identification and sensor unit operates to sense the parameter of each individual energy storage cell and provides radio frequency transmission of the parameters of each individual energy storage cell. A management system monitors the radio frequency transmissions from the radio frequency identification and sensor units for monitoring the parameters of the energy storage system.

25 ENERGY STORAGE↗

NASA NTRS1980

A study of the factors which control the efficiency of ion-implanted silicon solar cells

The objective of this work was to determine experimentally the ion-implantation parameters and furnace annealing conditions required to produce high-efficiency solar cells. A comprehensive experimental study was conducted in which the optimum ion-implantation parameters were found by a systematic variation of the implant parameters followed by detailed studies of solar-cell devices. Two furnace heat-treatment techniques were found which effectively anneal the implanted layers and at the same time preserve or improve the diffusion length in the bulk silicon. Detailed characteristics of both the junction and bulk properties of solar cells fabricated over the spectrum of implant parameters are discussed. Optimized implant parameters and annealing conditions were found which allow for the fabrication of 14-15-percent (AM1) efficient solar cells.

Douglas, E. C.↗

DOE OSTI2016

Simulation of stimulated Brillouin scattering and stimulated Raman scattering in shock ignition

We study stimulated Brillouin scattering (SBS) and stimulated Raman scattering (SRS) in shock ignition by comparing fluid and particle-in-cell (PIC) simulations. Under typical parameters for the OMEGA experiments [Theobald et al., Phys. Plasmas 19, 102706 (2012)], a series of 1D fluid simulations with laser intensities ranging between 2 × 10{sup 15} and 2 × 10{sup 16 }W/cm{sup 2} finds that SBS is the dominant instability, which increases significantly with the incident intensity. Strong pump depletion caused by SBS and SRS limits the transmitted intensity at the 0.17n{sub c} to be less than 3.5 × 10{sup 15 }W/cm{sup 2}. The PIC simulations show similar physics but with higher saturation levels for SBS and SRS convective modes and stronger pump depletion due to higher seed levels for the electromagnetic fields in PIC codes. Plasma flow profiles are found to be important in proper modeling of SBS and limiting its reflectivity in both the fluid and PIC simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2017

Patient-specific modeling of individual sickle cell behavior under transient hypoxia

Sickle cell disease (SCD) is a highly complex genetic blood disorder in which red blood cells (RBC) exhibit heterogeneous morphology changes and decreased deformability. We employ a kinetic model for cell morphological sickling that invokes parameters derived from patient-specific data. This model is used to investigate the dynamics of individual sickle cells in a capillary-like microenvironment in order to address various mechanisms associated with SCD. We show that all RBCs, both hypoxia-unaffected and hypoxia-affected ones, regularly pass through microgates under oxygenated state. However, the hypoxia-affected cells undergo sickling which significantly alters cell dynamics. In particular, the dense and rigid sickle RBCs are obstructed thereby clogging blood flow while the less dense and deformable ones are capable of circumnavigating dead (trapped) cells ahead of them by choosing a serpentine path. Informed by recent experiments involving microfluidics that provide in vitro quantitative information on cell dynamics under transient hypoxia conditions, we have performed detailed computational simulations of alterations to cell behavior in response to morphological changes and membrane stiffening. Our model reveals that SCD exhibits substantial heterogeneity even within a particular density-fractionated subpopulation. These findings provide unique insights into how individual sickle cells move through capillaries under transient hypoxic conditions, and offer novel possibilities for designing effective therapeutic interventions for SCD.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1991

Oxygen recombination in the sealed nickel-cadmium cell

The purpose of this study was to determine what parameters are most critical for controlling overcharge pressure in a sealed nickel cadmium cell. Topics covered in viewgraph format are: parameters examined; oxygen evolution and recombination; experimental test description; and effect of parameters on recombination rate.

Zimmerman, Al H.↗

DOE OSTI2015

Structural and functional screening in human induced-pluripotent stem cell-derived cardiomyocytes accurately identifies cardiotoxicity of multiple drug types

Safety pharmacology studies that evaluate new drug entities for potential cardiac liability remain a critical component of drug development. Current studies have shown that in vitro tests utilizing human induced pluripotent stem cell-derived cardiomyocytes (hiPS-CM) may be beneficial for preclinical risk evaluation. We recently demonstrated that an in vitro multi-parameter test panel assessing overall cardiac health and function could accurately reflect the associated clinical cardiotoxicity of 4 FDA-approved targeted oncology agents using hiPS-CM. The present studies expand upon this initial observation to assess whether this in vitro screen could detect cardiotoxicity across multiple drug classes with known clinical cardiac risks. Thus, 24 drugs were examined for their effect on both structural (viability, reactive oxygen species generation, lipid formation, troponin secretion) and functional (beating activity) endpoints in hiPS-CM. Using this screen, the cardiac-safe drugs showed no effects on any of the tests in our panel. However, 16 of 18 compounds with known clinical cardiac risk showed drug-induced changes in hiPS-CM by at least one method. Moreover, when taking into account the Cmax values, these 16 compounds could be further classified depending on whether the effects were structural, functional, or both. Overall, the most sensitive test assessed cardiac beating using the xCELLigence platform (88.9%) while the structural endpoints provided additional insight into the mechanism of cardiotoxicity for several drugs. These studies show that a multi-parameter approach examining both cardiac cell health and function in hiPS-CM provides a comprehensive and robust assessment that can aid in the determination of potential cardiac liability. - Highlights: • 24 drugs were tested for cardiac liability using an in vitro multi-parameter screen. • Changes in beating activity were the most sensitive in predicting cardiac risk. • Structural effects add in-depth insight towards mechanism of cardiac toxicity. • Testing functional and structural endpoints enhances early cardiac risk assessment.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

Colossal thermoelectric power in charge-ordered Li-doped La{sub 0.75}Li{sub 0.25}MnO{sub 3} manganite system

A detail study of transport and magnetic properties of La{sub 1-x}Li{sub x}MnO{sub 3+δ} (0.05 ≤ x ≤ 0.3) system synthesized by wet-chemical mixing route has been done. The room temperature x-ray powder diffraction (XRD) data show single phase behavior of all samples except x = 0.3. Rietveld refinement of XRD data shows structural transition from rhombohedral (R3-C) to orthorhombic (Pnma) symmetry occurs at the Li-doping level x > 0.2 with both the lattice parameter and unit-cell volume decrease with increase of ‘x’. All the samples show ferromagnetic (FM) behavior while metallic behavior are shown by the samples up to Li-concentration x = 0.2. With further Li doping i.e. for x = 0.25, the sample shows insulating behavior accompanied by charge-order transition around T ~ 225 K. Metallic part of the resistivity data of the samples is best fitted with an expression ρ(T) = ρ{sub 0} + ρ{sub 4.5}T{sup 4.5} + C/ sinh{sup 2}(hv{sub s}/2k{sub B}T) containing small-polaron contribution (last term). Most interesting finding in the present study is the observation of large anomalous decrease in thermoelectric power (S) below 100 K shown by the sample with x = 0.25. Probable mechanisms responsible for the observed colossal thermoelectric power have been discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1977

High efficiency thin-film GaAs solar cells

Several oxidation techniques are discussed which have been found to increase the open circuit (V sub oc) of metal-GaAs Schottky barrier solar cells, the oxide chemistry, attempts to measure surface state parameters, the evolving characteristics of the solar cell as background contamination (has been decreased, but not eliminated), results of focused Nd/YAG laser beam recrystallization of Ge films evaporated onto tungsten, and studies of AMOS solar cells fabricated on sliced polycrystalline GaAs wafers. Also discussed are projected materials availability and costs for GaAs thin-film solar cells.

Stirn, R. J.↗

DOE OSTI2021

Chronic arsenic increases cell migration in BEAS-2B cells by increasing cell speed, cell persistence, and cell protrusion length

Highlights: • Chronic arsenic exposure primes lung epithelial cells for enhanced cell migration. • Chronic arsenic increases cell motility in an EGFR-dependent manner. • Chronic arsenic increases cell persistence in an EGFR-independent manner. • EGFR is sufficient, but not necessary for increasing cell protrusion length in chronic arsenic treated cells. There is a strong association between arsenic exposure and lung cancer development, however, the mechanism by which arsenic exposure leads to carcinogenesis is not clear. In our previous study, we observed that when BEAS-2B cells are chronically exposed to arsenic, there is an increase in secreted TGFα, as well as an increase in EGFR expression and activity. Further, these changes were broadly accompanied with an increase in cell migration. The overarching goal of this study was to acquire finer resolution of the arsenic-dependent changes in cell migration, as well as to understand the role of increased EGFR expression and activity levels in the underlying mechanisms of cell migration. To do this, we used a combination of biochemical and single cell assays, and observed chronic arsenic treatment enhancing cell migration by increasing cell speed, cell persistence and cell protrusion length. All three parameters were further increased by the addition of TGFα, indicating EGFR activity is sufficient to enhance those aspects of cell migration. In contrast, EGFR activity was necessary for the increase in cell speed, as it was reversed with an EGFR inhibitor, AG1478, but was not necessary to enhance persistence and protrusion length. From these data, we were able to isolate both EGFR-dependent and –independent features of cell migration that were enhanced by chronic arsenic exposure.

60 APPLIED LIFE SCIENCES↗