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DOE OSTI2021

Incorporating Electrochemical Halide Oxidation into Drift-Diffusion Models to Explain Performance Losses in Perovskite Solar Cells under Prolonged Reverse Bias

Partial shading of a solar module can induce a set of cells within the module to operate under reverse bias. Studies have shown that metal halide perovskite solar cells with a wide variety of compositions and contacts exhibit interesting behavior in reverse bias that includes both reversible performance loss and non-reversible degradation. In this paper, an advanced drift-diffusion approach incorporating an electrochemical term to explain the short-circuit, open circuit and fill factor losses that are experimentally measured after prolonged reverse bias is used. It is shown that holes can tunnel into the perovskite due to sharp band bending near the contact, accumulate within the bulk of the perovskite absorber, and trigger the oxidation of halides to form neutral halogens. The density of neutral halogens is much higher in reverse bias because there are hardly any electrons available to reduce the iodine. The resulting halogens act as bulk recombination centers. While the interstitial halogen density does decay when the cell is operated in forward bias, permanent degradation can occur if the iodine diffuses out of the perovskite layer. Finally, the ways in which changing parameters such as the mobile ion density or the series resistance at the contact can influence device performance and stability are discussed.

degradation↗

DOE OSTI2025

Top-Performing Photovoltaic Cells Compared to the Shockley–Queisser Limit

Top-performing single-junction and two-terminal tandem devices that include at least one polycrystalline cell are compared with each other and their ideal limits. The parameters of open-circuit voltage, short-circuit current, and fill-factor are individually compared to the Shockley–Queisser limit to investigate where different technologies have room to improve. Technologies, such as silicon and cadmium telluride have the most room for improvement in open-circuit voltage currently utilizing 87% and 81% of their maxima, respectively. Detailed diode and fill-factor loss analysis is presented for single-junction devices to give further insight on how they compare and where efficiency is lost. Single-crystal technologies demonstrate a fill-factor closer to the Shockley–Queisser limit than polycrystalline devices. The high diode quality factor of polycrystalline devices is the leading cause of the decreased fill-factor. Similar analysis on tandem cells with at least one thin-film cell shows that although their efficiency exceeds that of the single-junction cells, the fraction of their ideal efficiency is smaller. Here, by comparing parameters to the Shockley–Queisser limit, it becomes clearer where certain technologies have the potential for improvement.

High efficiency↗

DOE OSTI2022

Failure diagnosis and trend‐based performance losses routines for the detection and classification of incidents in large‐scale photovoltaic systems

Abstract Fault detection and classification in photovoltaic (PV) systems through real‐time monitoring is a fundamental task that ensures quality of operation and significantly improves the performance and reliability of operating systems. Different statistical and comparative approaches have already been proposed in the literature for fault detection; however, accurate classification of fault and loss incidents based on PV performance time series remains a key challenge. Failure diagnosis and trend‐based performance loss routines were developed in this work for detecting PV underperformance and accurately identifying the different fault types and loss mechanisms. The proposed routines focus mainly on the differentiation of failures (e.g., inverter faults) from irreversible (e.g., degradation) and reversible (e.g., snow and soiling) performance loss factors based on statistical analysis. The proposed routines were benchmarked using historical inverter data obtained from a 1.8 MWp PV power plant. The results demonstrated the effectiveness of the routines for detecting failures and loss mechanisms and the capability of the pipeline for distinguishing underperformance issues using anomaly detection and change‐point (CP) models. Finally, a CP model was used to extract significant changes in time series data, to detect soiling and cleaning events and to estimate both the performance loss and degradation rates of fielded PV systems.

14 SOLAR ENERGY↗

DOE OSTI2022

Reducing Uncertainty of Fielded Photovoltaic Performance (Final Technical Report)

Improved analysis and reporting of photovoltaic (PV) field performance increases the certainty of owners and financiers that systems will perform as expected. Advanced module technologies (e.g., PERC, HJT, and bifacial) introduce new degradation mechanisms and performance characteristics. The FY19-21 Reducing Uncertainty project leveraged data from the ever-increasing PV fleet to develop models and understanding of the field performance of existing and new technologies. Specifically, we accomplished: report on field performance and degradation rates for high-efficiency silicon (HJT, PERC, IBC) and more conventional technologies; developed automated analysis techniques to quantify system performance (performance ratio, energy yield) and production shortfalls (soiling, degradation, availability); refined the RdTools software toolkit to bring standard, validated analysis techniques to bear on third-party data; analyzed and reported on large datasets including Treasury data and Lawrence Berkeley National Laboratory's Utility-Scale dataset to expand the high-quality degradation-rate histogram published previously; worked with industry partners and the DuraMAT data hub to enable private parties to share and aggregate PV production data anonymously, leveraging cloud-based data analysis infrastructure and publishing on US fleet-scale performance comprising over 7GW of operating systems. (https://www.nrel.gov/pv/fleet-performance-data-initiative.html). Through our industry collaborations we have engaged in NDA-covered data transfer with twelve PV fleet owners as of January 2022, with more agreements in negotiation. Our scalable cloud-based time series database contains over 30 billion rows (20TB) of PV time series data, representing over 1700 commercial and utility-scale systems, and over 7.2 GW of DC capacity (Fig 1). Initial field performance results have been distributed in several public reports. Because our fleet composition and data quality methods are continually improving, annual updates to these results are published to our PV Fleet webpage [ https://www.nrel.gov/pv/fleet-performance-data-initiative.html ] and DuraMAT data hub [DOI: 10.21948/1842958]. Another existing dissemination channel used for observed soiling losses is a map we maintain for soiling losses. Additional products developed include a report detailing fleet-wide performance index, availability, startup loss and snow loss factors, a detailed report on the 1603 grant dataset comprising over 100,000 PV systems with failure and performance details and a utility-scale report coauthored with LBNL on 31 GW of system performance.

14 SOLAR ENERGY↗

DOE OSTI2021

Enhancing functionalities in carbon fiber composites by titanium dioxide nanoparticles

Carbon fiber composite's high specific strength makes it incredibly useful for structural applications. However, their low strain-to-failure can be problematic in structural applications that can potentially see high strain conditions or high fatigue cycles resulting in sudden, catastrophic failure. This is further complicated by damage manifesting within the composite thus not showing damage indicators on the surface. Therefore, monitoring the structural integrity and strain history of the composite in application by itself—while maintaining positive composite performance—is vital to ensure safe operation. In this study, a homogeneous dispersion of TiO 2 nanoparticles on carbon fiber is demonstrated to generate a piezoresistive carbon fiber polymer matrix composite with enhanced self-sensing capabilities. The nanoparticle-embedded composites also exhibited superior strength and damping potential compared to the nanoparticle-free composites. The apparent interlaminar shear strength increased by up to 15% and the damping loss factor increased by an average of 150% while the piezoresistive sensitivity increased by up to 180% with the addition of a small weight fraction of nanoparticles to the fiber surface. These results demonstrate an approach to simultaneously improve the sensing capabilities, damping behavior and mechanical strength of carbon fiber composites by simply adding nanoparticles in the fiber sizing using a commercially scalable deposition method.

36 MATERIALS SCIENCE↗

DOE OSTI2022

High impact of bacterial predation on cyanobacteria in soil biocrusts

Diverse bacteria lead a life as pathogens or predators of other bacteria in many environments. However, their impact on emerging ecological processes in natural settings remains to be assessed. Here we describe a novel type of obligate, intracellular predatory bacterium of widespread distribution that preys on soil cyanobacteria in biocrusts. The predator, Candidatus Cyanoraptor togatus, causes localized, cm-sized epidemics that are visible to the naked eye, obliterates cyanobacterial net primary productivity, and severely impacts crucial biocrust properties like nitrogen cycling, dust trapping and moisture retention. The combined effects of high localized morbidity and areal incidence result in decreases approaching 10% of biocrust productivity at the ecosystem scale. Our findings show that bacterial predation can be an important loss factor shaping not only the structure but also the function of microbial communities.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Pumped Thermal Electricity Storage with Supercritical CO2 Cycles and Solar Heat Input

Pumped Thermal Electricity Storage (PTES) is an energy storage device that uses grid electricity to drive a heat pump that generates hot and cold storage reservoirs. This thermal potential is later used to power a heat engine and return electricity to the grid. In this article, a PTES variant that uses supercritical carbon dioxide (sCO2) as the working fluid is introduced. sCO2-PTES cycles have higher work ratios and power densities than the systems based on ideal gases that have been investigated to date. Furthermore, sCO2- PTES cycles may achieve higher round-trip efficiencies for a given hot storage temperature (up to 78% at 560°C). The sensitivity of PTES cycles to loss factors such as isentropic efficiencies and temperature differences between the power cycle and storage fluid is investigated. A second concept whereby an sCO2- PTES cycle is integrated with concentrating solar power (CSP) is introduced. This concept ‘time-shifts’ the recompression of an sCO2 recompression cycle to a period of lower electricity prices and stores the heat. When solar heat is dispatched, the recompressor may be avoided as the required heat is obtained from storage, thereby leading to increased heat engine efficiencies. The net work output of this integrated system is 10-18% greater than the conventional recompression cycle. Combining PTES with a CSP power cycle is therefore shown to improve the dispatch of solar heat as well as providing electricity storage services.

41 EE - Solar Energy Technologies Office (EE-4S)↗

DOE OSTI2022

High gas throughput SOLPS-ITER simulations extending the ITER database to strong detachment

Abstract SOLPS-ITER simulations performed for Q DT = 10, P SOL = 100 MW burning plasmas on ITER extend the existing database to high values of separatrix averaged neon impurity concentration (⟨ c Ne ⟩ ≈ 6%) and divertor neutral pressure (⟨ p div ⟩ > 25 Pa) in order to determine the heat flux mitigation capability of these scenarios and whether strongly detached states are accessible. In the existing database of ITER simulations, the level of detachment was limited to cases where the integral ion flux to the outer target was greater than 80% of the value at rollover, with the impurity radiation localized near the target. With the possibility of narrow heat flux channels and increased deposited power due to tile shaping, it is important to explore operation at a higher degree of detachment. Two series of simulations were explored to extend the database of SOLPS simulations. By increasing the deuterium and neon puff rates proportionally, the peak divertor energy flux ( q ⊥,max ) is decreased from 5 to 3 MW m −2 while ⟨ p div ⟩ increased from 11 to 27 Pa. By increasing only the neon puff, q ⊥, max can be reduced to <1MW m −2 while ⟨ p div ⟩ is maintained at ∼ 11 Pa. As the neon puff level is increased, the position of the impurity radiation peak is shifted towards the X-point. At the highest neon puff levels with steady-state solutions, the electron temperature is reduced below 1 eV across 50 cm of each divertor target. The new cases extend previously observed tight relationships in power and momentum loss factors to low electron temperature improving their utility for highly detached regimes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Quantum Time-Space Tradeoffs for Matrix Problems

We consider the time and space required for quantum computers to solve a wide variety of problems involving matrices, many of which have only been analyzed classically in prior work. Our main results show that for a range of linear algebra problems—including matrix-vector product, matrix inversion, matrix multiplication and powering—existing classical time-space tradeoffs, several of which are tight for every space bound, also apply to quantum algorithms with at most a constant factor loss. For example, for almost all fixed matrices 𝐴, including the discrete Fourier transform matrix, we prove that quantum circuits with at most 𝑇 input queries and 𝑆 qubits of memory require 𝑇 = Ω⁢(𝑛 2 /𝑆) to compute matrix-vector product 𝐴⁢𝑥 for 𝑥 ∈{0,1 𝑛 . We similarly prove that matrix multiplication for 𝑛 ×𝑛 binary matrices requires 𝑇 = Ω⁢(𝑛 3 /$\sqrt{𝑆}$). Because many of our lower bounds are matched by deterministic algorithms with the same time and space complexity, our results show that quantum computers cannot provide any asymptotic advantage for these problems with any space bound. We obtain matching lower bounds for the stronger notion of quantum cumulative memory complexity—the sum of the space per layer of a circuit. We also consider Boolean (i.e., AND-OR) matrix multiplication and matrix-vector products, improving the previous quantum time-space tradeoff lower bounds for 𝑛 × 𝑛 Boolean matrix multiplication to 𝑇 = Ω⁢(𝑛 2.5 /𝑆 1/4 ) from 𝑇 = Ω⁢(𝑛 2.5 /𝑆 1/2 ). Our improved lower bound for Boolean matrix multiplication is based on a new coloring argument that extracts more from the strong direct product theorem that was the basis for prior work. To obtain our tight lower bounds for linear algebra problems, we require much stronger bounds than strong direct product theorems. We obtain these bounds by adding a new bucketing method to the quantum recording-query technique of Zhandry that lets us apply classical arguments to upper bound the success probability of quantum circuits.

lower bounds↗

DOE OSTI2021

Editors’ Choice—Ionomer Side Chain Length and Equivalent Weight Impact on High Current Density Transport Resistances in PEMFC Cathodes

Cell voltage at high current densities (HCD) of an operating proton-exchange membrane fuel cell (PEMFC) suffers from losses due to the local-O 2 and bulk-H + transport resistances in the cathode catalyst layer (CCL). Particularly, the interaction of perfluorosulfonic acid (PFSA) ionomer with the carbon supported platinum catalyst plays a critical role in controlling reactant transport to the active site. In this study, we perform a systematic analysis of the side chain length and equivalent weight (EW) of PFSA ionomers on the CCL transport resistances. Ex situ measurements were carried out to quantify the ionomer characteristics such as the molecular weight, proton conductivity and water uptake. Nanomorphology of ionomers cast as 60–120 nm thin-films is characterized using grazing-incidence X-ray scattering. In situ fuel cell electrochemical diagnostic measurements were carried out to quantify the reactant (H + /O 2 ) transport properties of the CCL. Ionomer EW was found to play a major role with decreasing EW yielding higher proton conductivity and water uptake that led to lower bulk-H + and local-O 2 transport resistances in the CCL. Finally, a 1D-semi-empirical performance model has been developed to quantify the impact of ionomer EW on cell voltage loss factors.

08 HYDROGEN↗

DOE OSTI2025

ESTIMATION OF THE WAKEFIELD RESONANT FREQUENCY USING DIFFERENT SIMULATION TOOLS

Reliable and fast wakefield calculations are important for beam dynamics and THz generation in accelerators. We compare approaches and limitations with different available simulation tools and compare results. As an example, we analyse a cylindrical corrugated waveguide with narrower and wider radii of 5 and 6 mm, and aperture width and periodicity of 1 and 2 mm using ABCI by KEK and ANSYS HFSS simulation software. First, ABCI was used to determine the resonant frequency of the cylindri-cal corrugated waveguide with different lengths. The corresponding results were taken as a reference to exam-ine the simulation method in the ANSYS HFSS environ-ment. The eigenmode solver of ANSYS HFSS was used to determine different resonant frequencies. This was fol-lowed by examining a cylindrical corrugated waveguide that was implemented having a length of 17 mm for dif-ferent conductor settings. The corresponding waveguide was fed by a plane wave having a resonant frequency that satisfies the intersection of the light line and dispersion curve of the corresponding mode. The analysis showed that the maximum loss factor was achieved at 39.20 and 40.07 GHz using ANSYS HFSS simulation data for differ-ent conductors, whereas ABCI resulted in 38.50 GHz. The talk will present the results gathered by different simula-tion setups implemented in ANSYS HFSS.

Unutmaz, Muhammed [SLAC National Accelerator Labor↗

DOE OSTI2026

Promise of Graph Sparsification and Decomposition for Noise Reduction in QAOA: Analysis for Trapped-Ion Compilations

We develop new approximate compilation schemes that significantly reduce the expense of compiling the Quantum Approximate Optimization Algorithm (QAOA) for solving the Max-Cut problem. Our main focus is on compilation with trapped-ion simulators using Pauli-X operations and all-to-all Ising Hamiltonian HIsing evolution generated by Molmer-Sorensen or optical dipole force interactions, though some of our results also apply to standard gate-based compilations. Our results are based on principles of graph sparsification and decomposition; the former reduces the number of edges in a graph while maintaining its cut structure, while the latter breaks a weighted graph into a small number of unweighted graphs. Though these techniques have been used as heuristics in various hybrid quantum algorithms, there have been no guarantees on their performance, to the best of our knowledge. This work provides the first provable guarantees using sparsification and decomposition to improve quantum noise resilience and reduce quantum circuit complexity. For quantum hardware that uses edge-by-edge QAOA compilations, sparsification leads to a direct reduction in circuit complexity. For trapped-ion quantum simulators implementing all-to-all HIsing pulses, we show that for a (1−ϵ) factor loss in the Max-Cut approximation (ϵ>0), our compilations improve the (worst-case) number of HIsing pulses from O(n2) to O(nlog(n/ϵ)) and the (worst-case) number of Pauli-X bit flips from O(n2) to O(nlog(n/ϵ)ϵ2) for n-node graphs. This is an asymptotic improvement for any constant ϵ>0. We demonstrate that significant improvements to the approximation ratio are obtained using decomposition in simulated trapped-ion experiments with dephasing noise. We further present a generic argument showing that sparsification results in an exponentially improved circuit fidelity lower bound in digital computing schemes based on one- and two-qubit gates, which are relevant to a wide variety of hardwares such as superconducting qubits and certain neutral atom or trapped ion setups, and more sophisticated noise models. We anticipate these approximate compilation techniques will be useful tools in a variety of future quantum computing experiments.

Moondra, Jai [Georgia Institute of Technology]↗

DOE OSTI2022

Transcription Factor 4 loss-of-function is associated with deficits in progenitor proliferation and cortical neuron content

Transcription Factor 4 ( TCF4) has been associated with autism, schizophrenia, and other neuropsychiatric disorders. However, how pathological TCF4 mutations affect the human neural tissue is poorly understood. Here, we derive neural progenitor cells, neurons, and brain organoids from skin fibroblasts obtained from children with Pitt-Hopkins Syndrome carrying clinically relevant mutations in TCF4 . We show that neural progenitors bearing these mutations have reduced proliferation and impaired capacity to differentiate into neurons. We identify a mechanism through which TCF4 loss-of-function leads to decreased Wnt signaling and then to diminished expression of SOX genes, culminating in reduced progenitor proliferation in vitro. Moreover, we show reduced cortical neuron content and impaired electrical activity in the patient-derived organoids, phenotypes that were rescued after correction of TCF4 expression or by pharmacological modulation of Wnt signaling. This work delineates pathological mechanisms in neural cells harboring TCF4 mutations and provides a potential target for therapeutic strategies for genetic disorders associated with this gene.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Efficiency, Power Loss, and Power Factor Measurement of Quadrupole Magnet Power Supplies at the Spallation Neutron Source

The linear accelerator (LINAC) quadrupole magnets are powered by 42 silicon-controlled rectifier (SCR) based power supplies at the Spallation Neutron Source (SNS) facility of Oak Ridge National Laboratory. These 35V, 525A power supplies are bulky, inefficient and require both air and water cooling. The reliability of the SNS facility is impacted due to water leaks internal to power supplies and current readback issues associated with their unique control system interface, resulting in multiple downtime events. Hence, an alternate solution is necessary for the continued reliable operation of the SNS. To mitigate the above-mentioned problems, this paper proposes the use of off-the-shelf Switch Mode Power Supplies (SMPS) rated for 20V, 500A with serial control interface. These SMPS are air-cooled, more efficient and more compact owing to their switching speeds of approximately 160 kHz. The performance enhancements of the SMPS in comparison with the existing SCR power supply are discussed in detail in this paper. The features of the SMPS, along with experimental results for both power supplies, like efficiency, power losses and stability, are presented. Ongoing work is also discussed.

Harave, Sudarshan↗

DOE OSTI2025

Author Correction: Transcription Factor 4 loss-of-function is associated with deficits in progenitor proliferation and cortical neuron content

Correction to: Nature Communicationshttps://doi.org/10.1038/s41467-022-29942-w, published online 02 May 2022 In the version of the article initially published, the text “UCSD has filed a patent application (WO2022072709A1), in which F.P. and A.R.M. are inventors, containing some results regarding the TCF4 correction overexpression strategy described in this paper. The patent was published on 04-07-2022” was missing from the Competing interests section and has now been added to the HTML and PDF versions of the article.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2021

Quantifying lithium loss in amorphous silicon thin-film anodes via titration-gas chromatography

Silicon with a high theoretical capacity (3,579 mAh/g) is a promising anode candidate for lithium-ion batteries. However, commercialization is still impeded by low Coulombic efficiency, caused by solid electrolyte interphase (SEI) formation and trapped lithium (Li)-silicon (Si) alloy during repeated volume change. Quantifying capacity losses from each factor is crucial to formulate rational design strategies for further improvement. In this work, titration-gas chromatography and cryogenic transmission electron microscopy are applied to characterize the evolution of trapped Li-Si alloy and SEI growth in a silicon thin-film anode. It is found that continuous growth of the SEI is the dominant factor for lithium inventory loss during cycling, with only a marginal increase in trapped Li-Si alloy. This study offers a quantitative approach to differentiate Li in the SEI from trapped Li in Li-Si alloy through a silicon thin-film anode, providing unique insights into identifying critical bottlenecks for developing Si anodes.

25 ENERGY STORAGE↗

DOE OSTI2022

Ultra-low loss visible light waveguides for integrated atomic, molecular, and quantum photonics

Atomic, molecular and optical (AMO) visible light systems are the heart of precision applications including quantum, atomic clocks and precision metrology. As these systems scale in terms of number of lasers, wavelengths, and optical components, their reliability, space occupied, and power consumption will push the limits of using traditional laboratory-scale lasers and optics. Visible light photonic integration is critical to advancing AMO based sciences and applications, yet key performance aspects remain to be addressed, most notably waveguide losses and laser phase noise and stability. Additionally, a visible light integrated solution needs to be wafer-scale CMOS compatible and capable of supporting a wide array of photonic components. While the regime of ultra-low loss has been achieved at telecommunication wavelengths, progress at visible wavelengths has been limited. Here, we report the lowest waveguide losses and highest resonator Qs to date in the visible range, to the best of our knowledge. We report waveguide losses at wavelengths associated with strontium transitions in the 461 nm to 802 nm wavelength range, of 0.01 dB/cm to 0.09 dB/cm and associated intrinsic resonator Q of 60 Million to 9.5 Million, a decrease in loss by factors of 6x to 2x and increase in Q by factors of 10x to 1.5x over this visible wavelength range. Additionally, we measure an absorption limited loss and Q of 0.17 dB/m and 340 million at 674 nm. This level of performance is achieved in a wafer-scale foundry compatible Si 3 N 4 platform with a 20 nm thick core and TEOS-PECVD deposited upper cladding oxide, and enables waveguides for different wavelengths to be fabricated on the same wafer with mask-only changes per wavelength. These results represent a significant step forward in waveguide platforms that operate in the visible, opening up a wide range of integrated applications that utilize atoms, ions and molecules including sensing, navigation, metrology and clocks.

Chauhan, Nitesh↗

DOE OSTI2023

Information loss, mixing and emergent type III 1 factors

A manifestation of the black hole information loss problem is that the two-point function of probe operators in a large Anti-de Sitter black hole decays in time, whereas, on the boundary CFT, it is expected to be an almost periodic function of time. We point out that the decay of the two-point function (clustering in time) holds important clues to the nature of observable algebras, states, and dynamics in quantum gravity. We call operators that cluster in time “mixing” and explore the necessary and sufficient conditions for mixing. The information loss problem is a special case of the statement that in type I algebras, there exists no mixing operators. We prove that, in a thermofield double state (KMS state), if mixing operators form an algebra (close under multiplication), the resulting algebra must be a von Neumann type III 1 factor. In other words, the physically intuitive requirement that all nonconserved operators should exponentially mix is so strong that it fixes the observable algebra to be an exotic algebra called a type III1 factor. More generally, for an arbitrary out-of-equilibrium state of a general quantum system (von Neumann algebra), we show that if the set of operators that mix under modular flow forms an algebra, it is a type III1 von Neumann factor.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗