Results for “Area of Review” — Page 32

DOE OSTI2024

The development and applications of multidimensional biomolecular spectroscopy illustrated by photosynthetic light harvesting

The parallel and synergistic developments of atomic resolution structural information, new spectroscopic methods, their underpinning formalism, and the application of sophisticated theoretical methods have led to a step function change in our understanding of photosynthetic light harvesting, the process by which photosynthetic organisms collect solar energy and supply it to their reaction centers to initiate the chemistry of photosynthesis. The new spectroscopic methods, in particular multidimensional spectroscopies, have enabled a transition from recording rates of processes to focusing on mechanism. We discuss two ultrafast spectroscopies – two-dimensional electronic spectroscopy and two-dimensional electronic-vibrational spectroscopy – and illustrate their development through the lens of photosynthetic light harvesting. Both spectroscopies provide enhanced spectral resolution and, in different ways, reveal pathways of energy flow and coherent oscillations which relate to the quantum mechanical mixing of, for example, electronic excitations (excitons) and nuclear motions. The new types of information present in these spectra provoked the application of sophisticated quantum dynamical theories to describe the temporal evolution of the spectra and provide new questions for experimental investigation. While multidimensional spectroscopies have applications in many other areas of science, we feel that the investigation of photosynthetic light harvesting has had the largest influence on the development of spectroscopic and theoretical methods for the study of quantum dynamics in biology, hence the focus of this review. We conclude with key questions for the next decade of this review.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

Data Center Waste Heat as an Emerging Urban Thermal Hazard: First Field Measurements of Neighborhood-Scale Air Temperature Impacts

Data centers are among the fastest-growing sources of concentrated anthropogenic heat in urban environments. Despite heat flux densities that exceed peak solar irradiance by a factor of 2–6, their thermal impacts on adjacent communities have never been directly measured or reported in the peer-reviewed literature. This short communication addresses that gap by presenting the first vehicle-based traverse measurements of air temperature in residential neighborhoods downwind of operational data centers. Five traverses at four facilities in the Phoenix, Arizona metropolitan area, ranging from a 36 MW single-building data center in Mesa to a 169 MW colocation campus in Chandler, reveal downwind air temperature warming as high as 2.2 °C, with average downwind air temperatures 0.7–0.9 °C warmer than corresponding upwind areas. Thermal signatures were detectable at distances up to 500 m from facility perimeters. The 36 MW Mesa facility rejects waste heat equivalent to the electricity consumption of approximately 40,000 households, while the 169 MW Chandler campus is equivalent to over 180,000 households, both concentrated into footprints smaller than a single residential subdivision. With U.S. data center capacity projected to more than double by 2030, these findings establish data center anthropogenic waste heat as a previously undocumented urban thermal hazard demanding attention from the data center and urban planning communities.

Phoenix↗

DOE OSTI2022

Application Results on Early Exascale Hardware

This Exascale Computing Project (ECP) milestone report summarizes the status of 27 of the 31 ECP Applications Development (AD) subprojects at the end of FY21. In November and December of 2021, a comprehensive assessment of AD projects was conducted by the ECP leadership along with external subject matter experts (SMEs). (NNSA application projects are reviewed separately using the ASC milestone process.) The AD review committee—consisting of the AD lead, AD deputy, Level 3 (L3), and at least one external project SME—was tasked with evaluating each project’s progress relative to ECP project goals specified in the FY21 timeline. Key areas of focus were code maturity and performance on pre-exascale systems, an in-depth analysis of final key performance parameter (KPP) verification contracts, and future R&D priorities in the final year of ECP and beyond. As such, this report contains not only an accurate snapshot of each subproject’s current status but also represents a broad account of successes and challenges in porting large scientific applications to DOE’s next-generation high-performance computing architectures – the Frontier and Aurora systems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Site Identification framework and environmental compliance for floating ocean turbines in US Waters (Abstract)

Like all potential marine energy deployment sites, characterizing the site, understanding the environmental interactions with floating tidal technology, and mapping a pathway towards regulatory acceptance will be needed to site and permit ocean current development within the Florida Current. The proposed work will be based on a modeling analysis, a desk-top review and analysis, focusing on the characteristics of the ocean current technology and environmental monitoring information on the marine animals and habitats that are specific to the appropriate latitude, particularly those that are endemic to the offshore Florida area. The analysis will also describe the state and federal authorizations required for deploying a floating tidal energy technology, with an emphasis on how they differ from those in Washington, Alaska, and Maine. Environmentally compliant sites within Florida Current will be selected based on environmental, logistical, and regulatory criteria. Recommendations on monitoring needs and adaptive management practices will be provided. The need to acquire social acceptance for the Orbital Marine Power technology will also be explored and general recommendations prepared to encourage the best acceptance in the communities of interest.

16 TIDAL AND WAVE POWER↗

DOE OSTI2023

Criticality Alarm Systems at the Idaho Chemical Processing Plant

The Idaho Chemical Processing Plant (ICPP) has a number of criticality alarm systems (CAS) in the various facilities. The complexity of the plant creates some unique CAS problems. A detailed review of the CAS has been made to determine the level of compliance with ANSI 8.3-1986. A major CAS upgrade project is currently in the design stage which will expand coverage and bring all CAS monitoring unshielded areas into full compliance with ANSI 8.3-1986. Because DOE Orders do not contain an exclusion that exempts the need for CAS coverage in shielded areas as provided in ANSI 8.3-1986, a future CAS upgrade project is in the planning stage which will also upgrade the CAS coverage in shielded portions of the plant.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

Engineering evaluation of the EQSIM simulated ground-motion database: The San Francisco Bay Area region

Ground-motion simulations for infrequent earthquake scenarios are gaining increasing interest in the engineering community for their potential to inform performance-based structural design and assessment, particularly in regions where major earthquakes are expected, but recordings from consistent historical events are not available. However, the absence of empirical data makes the evaluation of such scenarios and the interpretation of the simulation results very challenging. In this context, this paper presents the evaluation of the first EQSIM (v.1.1.0) ground-motion simulations generated for the San Francisco Bay Area (SFBA) region. The current database, which is at the first stages of development, includes eight realizations of a Hayward Fault M w 7 event. The evaluation of the simulated motions is first conducted on the average ground-motion amplitudes through comparison against the NGA-W2 GMPEs and a selected population of real records. A methodology for selecting a population of real records consistent with the simulated event is proposed. The objective of the proposed evaluation is twofold: (1) build confidence in the realistic character of the simulated motions for their use in engineering applications and (2) offer a critical physics-based interpretation of the simulation results that can help improve key features of the simulation models. To further investigate the implications of using the simulated ground motions for site-specific structural assessments, the ASCE7-16 approach is employed for the analysis of two hazard-consistent near-field sites in the SFBA. Results are discussed. Furthermore, this study offers a critical review of the EQSIM (v.1.1.0) SFBA ground-motion simulations and suggestions for improving the earthquake rupture models.

58 GEOSCIENCES↗

DOE OSTI2023

A review of artificial intelligence applications in manufacturing operations

Abstract Artificial intelligence (AI) and machine learning (ML) can improve manufacturing efficiency, productivity, and sustainability. However, using AI in manufacturing also presents several challenges, including issues with data acquisition and management, human resources, infrastructure, as well as security risks, trust, and implementation challenges. For example, getting the data needed to train AI models can be difficult for rare events or costly for large datasets that need labeling. AI models can also pose security risks when integrated into industrial control systems. In addition, some industry players may be hesitant to use AI due to a lack of trust or understanding of how it works. Despite these challenges, AI has the potential to be extremely helpful in manufacturing, particularly in applications such as predictive maintenance, quality assurance, and process optimization. It is important to consider the specific needs and capabilities of each manufacturing scenario when deciding whether and how to use AI in manufacturing. This review identifies current developments, challenges, and future directions in AI/ML relevant to manufacturing, with the goal of improving understanding of AI/ML technologies available for solving manufacturing problems, providing decision‐support for prioritizing and selecting appropriate AI/ML technologies, and identifying areas where further research can yield transformational returns for the industry. Early experience suggests that AI/ML can have significant cost and efficiency benefits in manufacturing, especially when combined with the ability to capture enormous amounts of data from manufacturing systems.

Plathottam, Siby Jose↗

DOE OSTI2020

A reflection on lithium-ion battery cathode chemistry

Abstract Lithium-ion batteries have aided the portable electronics revolution for nearly three decades. They are now enabling vehicle electrification and beginning to enter the utility industry. The emergence and dominance of lithium-ion batteries are due to their higher energy density compared to other rechargeable battery systems, enabled by the design and development of high-energy density electrode materials. Basic science research, involving solid-state chemistry and physics, has been at the center of this endeavor, particularly during the 1970s and 1980s. With the award of the 2019 Nobel Prize in Chemistry to the development of lithium-ion batteries, it is enlightening to look back at the evolution of the cathode chemistry that made the modern lithium-ion technology feasible. This review article provides a reflection on how fundamental studies have facilitated the discovery, optimization, and rational design of three major categories of oxide cathodes for lithium-ion batteries, and a personal perspective on the future of this important area.

Science & Technology - Other Topics↗

DOE OSTI2021

New Approaches to Low-Cost Scalable Doping of Interdigitated back Contact Silicon Solar Cells (Final Report)

The goal of this project was to develop novel approaches to patterning of dopants in the rear fingers of interdigitated back contact (IBC) Si solar cells to reduce the cost of manufacturing this high-efficiency-potential cell architecture. The work throughout this project can be divided into four categories: (a) development of dopant patterning technique using laser scribed Si contacts masks that are mechanically aligned with ~10 μm resolution to the underlying Si substrate; (b) measuring dopant spreading profiles in the isolation region between n- and p-type dopant fingers during plasma-enhanced chemical vapor deposition (PECVD) of doped hydrogenated amorphous silicon (a-Si:H) via shadow masks, and dopant desorption and re-adsorption during high-temperature annealing; (c) understanding the role of dopant compensation on the shunt resistance in contaminated isolation regions through analysis of defect-enhanced compensation; and (d) simulation and fabrication of passivated two-sided grid and back-contact solar cells to demonstrate the use of direct dopant patterning in cell fabrication. For the passivated two-sided grid solar cells, masked deposition was used to demonstrate an improvement in the blue response of the cell by creating a shallow front emitter. During development of the masked PECVD patterning process, we measured 3-D dopant profiles using secondary ion mass spectrometry. After deposition, in the masked region, the phosphorus dopant tail was >100 µm at concentrations >10 19 cm -3 while the boron dopant tail was shorter. During high-temperature crystallization of doped a-Si:H films to polycrystalline Si (poly-Si), phosphorus atoms spread by desorbing from the poly-Si surface and re-adsorbing onto intrinsic poly-Si on adjacent wafers that were separated by several millimeters. These contamination mechanisms resulted in a decrease in resistivity from ~10 5 Ω·cm for intrinsic poly-Si to ~10 -1 Ω·cm for contaminated poly-Si. Mitigation strategies for each contamination mechanism were developed to maintain a resistivity of ~10 5 Ω·cm between doped fingers. During fabrication of the 209 cells created during this project, it was found that despite contamination of the IBC gap through the abovementioned mechanisms, high shunt resistances and FF ~75% were still reached. Investigation into this led to the discovery of defect-enhanced compensation which exists within highly defective poly-Si when net doping concentrations reach the value of defect density (~10 18 cm -3 for many poly-Si films). Simulations guided us in the fabrication of IBCs and the cells fabricated were able to meet the year-end goals for BP 2 and 3 of 15% and 17% IBC cell efficiency, as well as the BP 4 goal of a 1% absolute increase in efficiency for PERC-like devices. However, the most efficient cell created during this project of 18.6% fell short of the 21% final project target. While the champion device fell short in V oc and J sc , many devices fabricated were able to reach the necessary goals of ~40 mA/cm 2 , ~700 mV, and ~75% FF required for a 21% device. The results generated from this project were disseminated through 11 conference presentations and proceedings. Presentations included oral talks at 2019 IEEE PVSC, 2019 MRS Fall Meeting, 2020 PVSEC-30 and 2021 IEEE PVSC, as well as poster presentations at 2020 IEEE PVSC and 2021 SiPV. The project resulted in 2 peer reviewed publications – one published in IEEE Journal of Photovoltaics and one in ACS Applied Energy Materials. The information gained in this project will aid in development of improved processes for fabrication of high-efficiency solar cells and other areas of the semiconductor device industry as well. The IBC cells will also pave the way for higher efficiency tandem devices. Through further manufacturing of high-efficiency solar cells, more of the world’s energy demands can be met through renewable sources, helping to stave off the worst effects that may come about from global climate change.

14 SOLAR ENERGY↗

DOE OSTI2023

Sodar - Vaisala Triton Wind Profiler, AON8 - Reviewed Data

This dataset contains measurements from eight different Vaisala Triton Wind Profiler instruments. The Triton Wind Profiler is a sodar wind profiler that measures wind speed, direction, and turbulence intensity at heights from 30 m to 200 m above ground every 10 minutes. The eight Tritons are located at various sites around the WFIP2 study area.

17 WIND ENERGY↗

DOE OSTI2023

Sodar - Vaisala Triton Wind Profiler, AON1 - Reviewed Data

This dataset contains measurements from eight different Vaisala Triton Wind Profiler instruments. The Triton Wind Profiler is a sodar wind profiler that measures wind speed, direction, and turbulence intensity at heights from 30 m to 200 m above ground every 10 minutes. The eight Tritons are located at various sites around the WFIP2 study area.

17 WIND ENERGY↗

DOE OSTI2023

Sodar - Vaisala Triton Wind Profiler, AON4 - Reviewed Data

This dataset contains measurements from eight different Vaisala Triton Wind Profiler instruments. The Triton Wind Profiler is a sodar wind profiler that measures wind speed, direction, and turbulence intensity at heights from 30 m to 200 m above ground every 10 minutes. The eight Tritons are located at various sites around the WFIP2 study area.

17 WIND ENERGY↗

DOE OSTI2023

Sodar - Vaisala Triton Wind Profiler, AON7 - Reviewed Data

This dataset contains measurements from eight different Vaisala Triton Wind Profiler instruments. The Triton Wind Profiler is a sodar wind profiler that measures wind speed, direction, and turbulence intensity at heights from 30 m to 200 m above ground every 10 minutes. The eight Tritons are located at various sites around the WFIP2 study area.

17 WIND ENERGY↗

DOE OSTI2023

Sodar - Vaisala Triton Wind Profiler, AON3 - Reviewed Data

This dataset contains measurements from eight different Vaisala Triton Wind Profiler instruments. The Triton Wind Profiler is a sodar wind profiler that measures wind speed, direction, and turbulence intensity at heights from 30 m to 200 m above ground every 10 minutes. The eight Tritons are located at various sites around the WFIP2 study area.

17 WIND ENERGY↗

DOE OSTI2023

Sodar - Vaisala Triton Wind Profiler, AON2 - Reviewed Data

This dataset contains measurements from eight different Vaisala Triton Wind Profiler instruments. The Triton Wind Profiler is a sodar wind profiler that measures wind speed, direction, and turbulence intensity at heights from 30 m to 200 m above ground every 10 minutes. The eight Tritons are located at various sites around the WFIP2 study area.

17 WIND ENERGY↗

DOE OSTI2023

Sodar - Vaisala Triton Wind Profiler, AON6 - Reviewed Data

This dataset contains measurements from eight different Vaisala Triton Wind Profiler instruments. The Triton Wind Profiler is a sodar wind profiler that measures wind speed, direction, and turbulence intensity at heights from 30 m to 200 m above ground every 10 minutes. The eight Tritons are located at various sites around the WFIP2 study area.

17 WIND ENERGY↗

DOE OSTI2023

Sodar - Vaisala Triton Wind Profiler, AON5 - Reviewed Data

This dataset contains measurements from eight different Vaisala Triton Wind Profiler instruments. The Triton Wind Profiler is a sodar wind profiler that measures wind speed, direction, and turbulence intensity at heights from 30 m to 200 m above ground every 10 minutes. The eight Tritons are located at various sites around the WFIP2 study area.

17 WIND ENERGY↗

DOE OSTI2023

Sodar - Vaisala Triton Wind Profiler, AON9 - Reviewed Data

This dataset contains measurements from eight different Vaisala Triton Wind Profiler instruments. The Triton Wind Profiler is a sodar wind profiler that measures wind speed, direction, and turbulence intensity at heights from 30 m to 200 m above ground every 10 minutes. The eight Tritons are located at various sites around the WFIP2 study area.

17 WIND ENERGY↗