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At least 883 records · Page 49

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DOE OSTI2023

Gallium-doped zinc oxide: nonlinear reflection and transmission measurements and modeling in the ENZ region

Abstract Strong nonlinear materials have been sought after for decades for applications in telecommunications, sensing, and quantum optics. Gallium-doped zinc oxide is a II–VI transparent conducting oxide that shows promising nonlinearities similar to indium tin oxide and aluminum-doped zinc oxide for the telecommunications band. Here we explore its nonlinearities in the epsilon near zero (ENZ) region and show n 2,eff values on the order of 4.5 × 10 −3 cm 2 GW −1 for IR pumping on 200–300 nm thin films. Measuring nonlinear changes in transmission and reflection with a white light source probe in the near-IR while exciting in the near-IR provides data in both time and wavelength. Three films varying in thickness, optical loss, and ENZ crossover wavelength are numerically modeled and compared to experimental data showing agreement for both dispersion and temporal relaxation. In addition, we discuss optimal excitation and probing wavelengths occur around ENZ for thick films but are red-shifted for thin films where our model provides an additional degree of freedom to explore. Obtaining accurate nonlinear measurements is a difficult and time-consuming task where our method in this paper provides experimental and modeled data to the community for an ENZ material of interest.

Ball, Adam (ORCID:0000000318167813)↗

DOE OSTI2025

Passive radiative thermal management using phase-change metasurfaces

Abstract Realizing innovative composite materials with passive thermal management capabilities and minimal ecological footprints is a challenging but much sought-after goal that would have a transformative effect on renewable energy sciences. We demonstrate an environmentally friendly metasurface utilizing vanadium dioxide (VO 2 ) that offers responsiveness to ambient temperature and potentially long-term stability. The metasurface enables passive thermal management by self-adjusting its absorptivity and emissivity response over a broad bandwidth ranging from visible to mid-infrared (IR) wavelengths. Above the VO 2 phase transition the metasurface exhibits increased mid-IR emissivity and reduced visible/near-IR absorptivity, creating an efficient radiative emission channel in the first atmospheric transparency window with reduced absorption of solar radiation. In contrast, below VO 2 ’s transition temperature, the metasurface increasingly absorbs sun light while minimizing mid-IR radiative heat losses. Moreover, a functional silicon layer eliminates the need for an additional capping layer commonly employed to protect VO 2 from environmental degradation. The additional protective layer often impedes the use and performance of VO 2 based devices in terrestrial as well as spacecraft applications. Therefore, the proposed durable and eco-friendly metasurface will be an excellent candidate for essential passive thermal regulation systems across residential and terrestrial applications.

42 ENGINEERING↗

DOE OSTI2021

Colossal grain growth in Cd(Se,Te) thin films and their subsequent use in CdTe epitaxy by close-spaced sublimation

Many technologies deposit thin films on inexpensive substrates, resulting in small grains due to classic nucleation and grain growth theory. For example, state-of-the-art solar cells are made by depositing CdSeTe and CdTe layers on inexpensive glass coated with nanocrystalline transparent conducting oxides (TCOs), like SnO 2 . Characteristically, the grain size of these films is on the order of the film thickness, i.e. a few microns. CdTe small-grain films have poor electro-optical properties and require CdCl 2 passivation which fails to fully passivate grain boundaries, causes carrier compensation, and prevents implementing other II–VI alloys and materials to improve performance. Here, we present a method to increase grain size to 1 mm in CdSe x Te 1-x thin films deposited on glass/TCO substrates without CdCl 2 treatment. The colossal grain growth is driven by mechanisms distinct from classic nucleation, grain growth, and Ostwald ripening and only occurs at low selenium content (x ~ 0.1). We also demonstrate how these films can serve as templates for subsequent large-grain epitaxy of other compositions like CdTe, again without exposure to CdCl 2 . The results open new paths for thin film solar cell technology, and thin film devices in general.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Mg x Zn 1−x O contact to CuGa 3 Se 5 absorber for photovoltaic and photoelectrochemical devices

Abstract CuGa 3 Se 5 is a promising candidate material with wide band gap for top cells in tandem photovoltaic and photoelectrochemical (PEC) devices. However, traditional CdS contact layers used with other chalcopyrite absorbers are not suitable for CuGa 3 Se 5 due to the higher position of its conduction band (CB) minimum. Mg x Zn 1− x O (MZO) is a transparent oxide with adjustable band gap and CB position as a function of magnesium composition, but its direct application is hindered by CuGa 3 Se 5 surface oxidation. Here, MZO is investigated as a contact (n-type ‘buffer’ or ‘window’) material to CuGa 3 Se 5 absorbers pretreated in Cd 2+ solution, and an onset potential close to 1 V vs reversible hydrogen electrode in 10 mM hexaammineruthenium (III) chloride electrolyte is demonstrated. The Cd 2+ surface treatment changes the chemical composition and electronic structure of the CuGa 3 Se 5 surface, as demonstrated by photoelectron spectroscopy measurements. The performance of CuGa 3 Se 5 absorber with Cd 2+ treated surface in the solid-state test structure depends on the Zn/Mg ratio in the MZO layer. The measured open circuit voltage of 925 mV is promising for tandem PEC water splitting with CuGa 3 Se 5 /MZO top cells.

36 MATERIALS SCIENCE↗

DOE OSTI2023

A comparative analysis of US state-level policies and programs to advance energy justice

Abstract The US energy system is undergoing massive changes that have environmental, technological, and societal implications. Decisions and actions taken now will dramatically alter the trajectory of our future energy system. Though new technologies can lessen the dangers of anthropogenic climate change, an effective and sustainable transition requires addressing social justice issues as a priority. To this end, many states have implemented policies and programs that address energy justice. A formal survey of state-level energy justice policies and programs is needed to better understand the methods used to assist communities targeted and the impacts of these efforts. Such an analysis should include an analysis of the metrics used to judge the effectiveness of the enacted policies and programs. In this paper, we analyze the energy justice policies and programs of seven different US states. From this analysis, we identify three important aspects of state energy policies. First, most policies and programs do not articulate their goals, nor cite metrics to judge their successes. This lack of transparency and accountability is a major roadblock to truly just solutions. Second, states focus on a very narrow range of solutions for energy justice issues. The most prevalent being utility bill assistance, which does not address the systemic and enduring challenges faced by many low-income or historically marginalized communities. Lastly, comprehensive energy policy does not acknowledge and address housing, employment, education, and healthcare inequities that exacerbate energy system inequities. The work presented in this paper sheds light on the progress of state-level energy justice policies and programs across the United States, and we argue more work needs to be done to understand best practices in energy justice policymaking.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2021

Femtosecond laser fabrication of nanograting-based distributed fiber sensors for extreme environmental applications

Abstract The femtosecond laser has emerged as a powerful tool for micro- and nanoscale device fabrication. Through nonlinear ionization processes, nanometer-sized material modifications can be inscribed in transparent materials for device fabrication. This paper describes femtosecond precision inscription of nanograting in silica fiber cores to form both distributed and point fiber sensors for sensing applications in extreme environmental conditions. Through the use of scanning electron microscope imaging and laser processing optimization, high-temperature stable, Type II femtosecond laser modifications were continuously inscribed, point by point, with only an insertion loss at 1 dB m −1 or 0.001 dB per point sensor device. High-temperature performance of fiber sensors was tested at 1000 °C, which showed a temperature fluctuation of ±5.5 °C over 5 days. The low laser-induced insertion loss in optical fibers enabled the fabrication of a 1.4 m, radiation-resilient distributed fiber sensor. The in-pile testing of the distributed fiber sensor further showed that fiber sensors can execute stable and distributed temperature measurements in extreme radiation environments. Overall, this paper demonstrates that femtosecond-laser-fabricated fiber sensors are suitable measurement devices for applications in extreme environments.

Wang, Mohan (ORCID:0000000166784993)↗

DOE OSTI2026

Explainable physics-based constraints on reinforcement learning for accelerator optimization

We present a reinforcement learning (RL) framework for optimizing particle accelerator experiments that builds explainable physics-based constraints on agent behavior. The goal is to increase transparency and trust by letting users verify that the agent’s decision-making process incorporates suitable physics. Our algorithm uses a learnable surrogate function for physical observables, such as energy, and uses them to fine-tune how actions are chosen. This surrogate can be represented by a neural network or by an interpretable sparse dictionary model. We test our algorithm on a range of particle accelerator optimization environments designed to emulate the Continuous Electron Beam Accelerator Facility at Jefferson Lab. By examining the mathematical form of the learned constraint function, we are able to confirm the agent has learned to use the established physics of each environment. In addition, we find that the introduction of a physics-based surrogate enables our RL algorithms to reliably converge for difficult high-dimensional accelerator optimization environments.

explainability↗

DOE OSTI2024

Decision support for United States—Canada energy integration is impaired by fragmentary environmental and electricity system modeling capacity

The renewable energy transition is leading to increased electricity trade between the United States and Canada, with Canadian hydropower providing firm lower-carbon power and buffering variability of wind and solar generation in the U.S. However, long-term power purchase agreements and transborder transmission projects are controversial, with two of four proposed transmission lines between Quebec, Canada and the northeast U.S. cancelled since 2018. Here, we argue that controversies are exacerbated by a lack of open-source data and tools to understand tradeoffs of new hydropower generation and transmission infrastructure in comparison to alternatives. This gap includes impacts that incremental transmission and generation projects have on the economics of the entire system, for example, how new transmission projects affect exports to existing markets or incentivize new generation. We identify priority areas for data synthesis and model development, such as integrating linked hydropower and hydrologic interactions in energy system models and openly releasing (by utilities) or back-calculating (by researchers) hydropower generation and operational parameters. Publicly available environmental (e.g. streamflow, precipitation) and techno-economic (e.g. costs, reservoir size,) data can be used to parameterize freely usable and extensible models. Existing models have been calibrated with operational data from Canadian utilities that are not publicly available, limiting the range of scientific and commercial questions these tools have been used to answer and the range of parties that have been involved. Studies conducted using highly resolved, national-scale public data exist in other countries, notably, the United States, and demonstrate how greater transparency and extensibility can drive industry action. Improved data availability in Canada could facilitate approaches that (1) increase participation in decarbonization planning by a broader range of actors; (2) allow independent characterizations of environmental, health, and economic outcomes of interest to the public; and (3) identify decarbonization pathways consistent with community values.

13 HYDRO ENERGY↗

DOE OSTI2022

A mixed, unified forward/inverse framework for earthquake problems: fault implementation and coseismic slip estimate

SUMMARY We introduce a new finite-element (FE) based computational framework to solve forward and inverse elastic deformation problems for earthquake faulting via the adjoint method. Based on two advanced computational libraries, FEniCS and hIPPYlib for the forward and inverse problems, respectively, this framework is flexible, transparent and easily extensible. We represent a fault discontinuity through a mixed FE elasticity formulation, which approximates the stress with higher order accuracy and exposes the prescribed slip explicitly in the variational form without using conventional split node and decomposition discrete approaches. This also allows the first order optimality condition, that is the vanishing of the gradient, to be expressed in continuous form, which leads to consistent discretizations of all field variables, including the slip. We show comparisons with the standard, pure displacement formulation and a model containing an in-plane mode II crack, whose slip is prescribed via the split node technique. We demonstrate the potential of this new computational framework by performing a linear coseismic slip inversion through adjoint-based optimization methods, without requiring computation of elastic Green’s functions. Specifically, we consider a penalized least squares formulation, which in a Bayesian setting—under the assumption of Gaussian noise and prior—reflects the negative log of the posterior distribution. The comparison of the inversion results with a standard, linear inverse theory approach based on Okada’s solutions shows analogous results. Preliminary uncertainties are estimated via eigenvalue analysis of the Hessian of the penalized least squares objective function. Our implementation is fully open-source and Jupyter notebooks to reproduce our results are provided. The extension to a fully Bayesian framework for detailed uncertainty quantification and non-linear inversions, including for heterogeneous media earthquake problems, will be analysed in a forthcoming paper.

58 GEOSCIENCES↗

DOE OSTI2022

Open Hardware in Science: The Benefits of Open Electronics

Abstract Openly shared low-cost electronic hardware applications, known as open electronics, have sparked a new open-source movement, with much untapped potential to advance scientific research. Initially designed to appeal to electronic hobbyists, open electronics have formed a global “maker” community and are increasingly used in science and industry. In this perspective article, we review the current costs and benefits of open electronics for use in scientific research ranging from the experimental to the theoretical sciences. We discuss how user-made electronic applications can help (I) individual researchers, by increasing the customization, efficiency, and scalability of experiments, while improving data quantity and quality; (II) scientific institutions, by improving access to customizable high-end technologies, sustainability, visibility, and interdisciplinary collaboration potential; and (III) the scientific community, by improving transparency and reproducibility, helping decouple research capacity from funding, increasing innovation, and improving collaboration potential among researchers and the public. We further discuss how current barriers like poor awareness, knowledge access, and time investments can be resolved by increased documentation and collaboration, and provide guidelines for academics to enter this emerging field. We highlight that open electronics are a promising and powerful tool to help scientific research to become more innovative and reproducible and offer a key practical solution to improve democratic access to science.

Oellermann, Michael (ORCID:0000000153926737)↗

DOE OSTI2023

Language Barriers in Organismal Biology: What Can Journals Do Better?

Synopsis In the field of organismal biology, as in much of academia, there is a strong incentive to publish in internationally recognized, highly regarded, English-language journals to promote career advancement. This expectation has created a linguistic hegemony in scientific publishing, whereby scholars for whom English is an additional language face additional barriers to achieving the same scientific recognition as scholars who speak English as a first language. Here, we surveyed the author guidelines of 230 journals in organismal biology with impact factors of 1.5 or greater for linguistically inclusive and equitable practices and policies. We looked for efforts that reflect first steps toward reducing barriers to publication for authors globally, including the presence of statements that encouraged submissions from authors of diverse nationalities and backgrounds, policies regarding manuscript rejection based on perceived inadequacies of the English language, the existence of bias-conscious reviewer practices, whether translation and editing resources or services are available, allowance for non-English abstracts, summaries, or translations, and whether journals offer license options that would permit authors (or other scholars) to translate their work and publish it elsewhere. We also directly contacted a subset of journals to verify whether the information on their author guidelines page accurately reflects their policies and the accommodations they would make. We reveal that journals and publishers have made little progress toward beginning to recognize or reduce language barriers. Counter to our predictions, journals associated with scientific societies did not appear to have more inclusive policies compared to non-society journals. Many policies lacked transparency and clarity, which can generate uncertainty, result in avoidable manuscript rejections, and necessitate additional time and effort from both prospective authors and journal editors. We highlight examples of equitable policies and summarize actions that journals can take to begin to alleviate barriers to scientific publishing.

Nolde-Lopez, B.↗

DOE OSTI2023

Novel Focused Ion Beam Liftouts for Spatial Characterization of Spherical Biominerals With Transmission Electron Microscopy

Abstract Focused ion beam (FIB) is frequently used to prepare electron- and X-ray-beam-transparent thin sections of samples, called lamellae. Typically, lamellae are prepared from only a subregion of a sample. In this paper, we present a novel approach for FIB lamella preparation of microscopic samples, wherein the entire cross-section of the whole sample can be investigated. The approach was demonstrated using spherical, porous, and often hollow microprecipitates of biologically precipitated calcium carbonate. The microprecipitate morphology made these biogenic samples more fragile and challenging than materials commonly investigated using FIB lamellae. Our method enables the appropriate orientation of the lamellae required for further electron/X-ray analyses after attachment to the transmission electron microscopy (TEM) grid post and facilitates more secure adhesion onto the grid post. We present evidence of autofluorescence in bacterially precipitated vaterite using this lamella preparation method coupled with TEM selected area diffraction. This innovative approach allows studying biomineralization at the micro to nano scales, which can provide novel insights into bacterial responses to microenvironmental conditions.

47 OTHER INSTRUMENTATION↗

DOE OSTI2021

Lyman-α transmission properties of the intergalactic medium in the CoDaII simulation

ABSTRACT The decline in abundance of Lyman-α (Lyα) emitting galaxies at z ≳ 6 is a powerful and commonly used probe to constrain the progress of cosmic reionization. We use the CoDaII simulation, which is a radiation hydrodynamic simulation featuring a box of ∼94 comoving Mpc side length, to compute the Lyα transmission properties of the intergalactic medium (IGM) at z ∼ 5.8 to 7. Our results mainly confirm previous studies, i.e. we find a declining Lyα transmission with redshift and a large sightline-to-sightline variation. However, motivated by the recent discovery of blue Lyα peaks at high redshift, we also analyse the IGM transmission on the blue side, which shows a rapid decline at z ≳ 6 of the blue transmission. This low transmission can be attributed not only to the presence of neutral regions but also to the residual neutral hydrogen within ionized regions, for which a density even as low as $n_{\rm HI}\sim 10^{-9}\, \mathrm{cm}^{-3}$ (sometimes combined with kinematic effects) leads to a significantly reduced visibility. Still, we find that $\sim 1{{\ \rm per\ cent}}$ of sightlines towards M1600AB ∼ −21 galaxies at z ∼ 7 are transparent enough to allow a transmission of a blue Lyα peak. We discuss our results in the context of the interpretation of observations.

Gronke, Max (ORCID:000000032491060X)↗

DOE OSTI2025

Mapping the cosmic gamma-ray horizon: the 1CGH catalogue of Fermi -LAT detections above 10 GeV

ABSTRACT We present the First Cosmic Gamma-ray Horizon (1CGH) catalogue, featuring $\gamma$-ray detections above 10 GeV based on 16 yr of observations with the Fermi Large Area Telescope (Fermi-LAT) satellite. After carefully selecting a sample of blazars and blazar candidates from catalogues in the literature, we performed a binned likelihood analysis and identified 2791 $\gamma$-ray emitters above 10 GeV, at >3$\sigma$ level, including 62 that are new $\gamma$-ray detections. For each source, we estimated the mean energy of the highest energy bin and analysed them in the context of the cosmic gamma-ray horizon. By adopting a reference model for the extragalactic background light (EBL), we identified a subsample of 525 sources where moderate to severe $\gamma$-ray absorption could be detected across the redshift range of 0–3. This work provides the most up-to-date compilation of detections above 10 GeV, along with their redshift information. We condense extensive results from the literature, including reports on observational campaigns dedicated to blazars and $\gamma$-ray sources, thereby delivering an unprecedented review of the redshift information for sources detected above 10 GeV. Additionally, we highlight key 1CGH sources where redshift information remains incomplete, offering guidance for future optical observation campaigns. The 1CGH catalogue aims to track the most significant sources for studying the $\gamma$-ray transparency of the Universe. Furthermore, it provides a targeted subsample where the EBL optical depth, $\tau _{(E,z)}$, can be robustly measured using Fermi-LAT data.

Arsioli, Bruno (ORCID:0000000181666602)↗

DOE OSTI2022

A DE1 BINDING FACTOR 1–GLABRA2 module regulates rhamnogalacturonan I biosynthesis in Arabidopsis seed coat mucilage

Abstract The mucilage surrounding hydrated Arabidopsis thaliana seeds is a specialized extracellular matrix composed mainly of the pectic polysaccharide rhamnogalacturonan I (RG-I). Although, several genes responsible for RG-I biosynthesis have been identified, the transcriptional regulatory mechanisms controlling RG-I production remain largely unknown. Here we report that the trihelix transcription factor DE1 BINDING FACTOR 1 (DF1) is a key regulator of mucilage RG-I biosynthesis. RG-I biosynthesis is significantly reduced in loss-of-function mutants of DF1. DF1 physically interacts with GLABRA2 (GL2) and both proteins transcriptionally regulate the expression of the RG-I biosynthesis genes MUCILAGE MODIFIED 4 (MUM4) and GALACTURONOSYLTRANSFERASE-LIKE5 (GATL5). Through chromatin immunoprecipitation-quantitative PCR and transcriptional activation assays, we uncover a cooperative mechanism of the DF1–GL2 module in activating MUM4 and GATL5 expression, in which DF1 binds to the promoters of MUM4 and GATL5 through interacting with GL2 and facilitates the transcriptional activity of GL2. The expression of DF1 and GL2 is directly regulated by TRANSPARENT TESTA GLABRA2 (TTG2) and, in turn, DF1 directly represses the expression of TTG2. Taken together, our data reveal that the transcriptional regulation of mucilage RG-I biosynthesis involves a regulatory module, comprising DF1, GL2, and TTG2.

Biochemistry & Molecular Biology↗

DOE OSTI2025

Ethical considerations in infectious disease modelling for public health policy: the case of school closures

Mathematical models of infectious diseases are frequently used as a tool to support public health policy and decisions around the implementation of interventions such as school closures. However, most publications on policy-relevant modelling lack an ethical framework and do not explicitly consider the ethical implications of the work. This creates a risk that the unintended consequences of interventions are overlooked or that models are used to justify decisions that are inconsistent with public health ethics. In this article, we focus on the case study of school closures as a commonly modelled intervention against pandemic influenza, COVID-19 and other infectious disease threats. We briefly review some of the key concepts in public health ethics and describe approaches to modelling the effects of school closures. We then identify a series of ethical considerations involved in modelling school closures. These include accounting for population heterogeneity and inequalities; including a diversity of viewpoints and expertise in model design; considering the distribution of benefits and harms; and model transparency and contextualization. Furthermore, we conclude with some recommendations to ensure that policy-relevant modelling is consistent with some key ethics values.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Why don't we share data and code? Perceived barriers and benefits to public archiving practices

The biological sciences community is increasingly recognizing the value of open, reproducible and transparent research practices for science and society at large. Despite this recognition, many researchers fail to share their data and code publicly. This pattern may arise from knowledge barriers about how to archive data and code, concerns about its reuse, and misaligned career incentives. Here, we define, categorize and discuss barriers to data and code sharing that are relevant to many research fields. We explore how real and perceived barriers might be overcome or reframed in the light of the benefits relative to costs. By elucidating these barriers and the contexts in which they arise, we can take steps to mitigate them and align our actions with the goals of open science, both as individual scientists and as a scientific community.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2026

New framework for extracting GPDs from exclusive photon electroproduction

Recently, a new framework for studying generic 2 → 3 hard exclusive reactions, referred to as single-diffractive hard exclusive processes, has been introduced to provide a cleaner separation of the underlying physical mechanisms. In this work, we expand this formalism to the case of exclusive real-photon electroproduction off a nucleon, 𝑒⁡(ℓ) +𝑁⁡(𝑝) →𝑒⁡(ℓ′) +𝑁⁡(𝑝′) + 𝛾⁡(𝑞′), which represents the classical channel for accessing generalized parton distributions (GPDs) in nucleons and nuclei. This extension enables a more systematic and physically transparent formulation of the reaction dynamics, paving the way for improved extractions of GPDs from experimental data as compared to existing approaches.

Qiu, Jian-Wei [Thomas Jefferson National Accelerat↗