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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Spiers Memorial Lecture: activating metal sites for biological electron transfer

Metal sites in biology often exhibit unique spectroscopic features that reflect novel geometric and electronic structures imposed by the protein that are key to reactivity. The blue copper active site involved in long range, rapid biological electron transfer is a classic example. This review presents an overview of both traditional and synchrotron based spectroscopic methods and their coupling to electronic structure calculations to understand the unique features of the blue copper active site, their contributions to function and the role of the protein in determining the geometric and electronic structure of the active site (called the “entatic state”). The relation of this active site to other biological electron transfer sites is further developed. Specifically, ultrafast XFEL spectroscopy is used to evaluate the methionine–S–Fe bond in cytochrome c, and its entatic control by the protein in determining function (electron transfer vs. apoptosis).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Spiers Memorial Lecture: Theory of unimolecular reactions

One hundred years ago, at an earlier Faraday Discussion meeting, Lindemann presented a mechanism that provides the foundation for contemplating the pressure dependence of unimolecular reactions. Since that time, our ability to model and predict the kinetics of such reactions has grown in leaps and bounds through the synergy of ever more sophisticated experimental studies with increasingly high level theoretical analyses. Herein, this review begins with a brief historical overview of the progress from the Lindemann mechanism to the master equation, which now provides the cornerstone for most theoretical analyses. The current status of ab initio transition state theory based implementations of the master equation is then reviewed, beginning with a discussion of the energy resolved chemical conversion rates, followed by a review of the pressure dependence of the thermal kinetics. The latter discussion focusses on the collisional energy and angular momentum transfer rates as well as the complexities of non-thermal effects and of multiple-well multiple-channel reactions. The synergy with recent state-of-the-art experiments is used to motivate these discussions. Attempts to automate the calculations are also briefly reviewed. Throughout the discussion, we provide our perspective on current understanding and continuing challenges and opportunities. One key challenge relates to the coupling of sequences of reactions, which frequently leads to deviations from the classic presumption of thermal reactants.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Spiers Memorial Lecture: Next generation chalcogenide-based absorbers for thin-film solar cells

Inorganic-based thin-film photovoltaics (TFPV) represents an important component of the growing low-carbon energy market and plays a vital role in the drive toward lower cost and increased penetration of solar energy. Yet, commercialized thin-film absorber technologies suffer from some non-ideal characteristics, such as toxic or non-abundant element use (e.g., CdTe and Cu(In,Ga)(S,Se) 2 , which bring into question their suitability for terawatt deployment. Numerous promising chalcogenide, halide, pnictide and oxide semiconductors are being pursued to bridge these concerns for TFPV and several promising paths have emerged, both as prospective replacements for the entrenched technologies, and to serve as partner (i.e., higher bandgap) absorbers for tandem junction devices—e.g., to be used with a lower bandgap Si bottom cell. The current perspective will primarily focus on emerging chalcogenide-based technologies and provide both an overview of absorber candidates that have been of recent interest and a deeper dive into an exemplary Cu 2 BaSnS 4 -related family. Altogether, considering the combined needs of high-performance, low-cost, and operational stability, as well as the experiences gained from existing commercialized thin-film absorber technologies, chalcogenide-based semiconductors represent a promising direction for future PV development and also serve to highlight common themes and needs among the broader TFPV materials family.

14 SOLAR ENERGY↗
DOE OSTI2024

Spiers Memorial Lecture: Water at interfaces

In this article we discuss current issues in the context of the four chosen subtopics for the meeting: dynamics and nano-rheology of interfacial water, electrified/charged aqueous interfaces, ice interfaces, and soft matter/water interfaces.

Devlin, Shane W.↗
DOE OSTI2019

Chapter 10. Lectures on Three-point Functions in N=4 Supersymmetric Yang-Mills Theory

This is a review of the integrability-based approach to the three-point function in N = 4 supersymmetric Yang–Mills theory. We first discuss the computation of the structure constant at weak coupling and show that the result can be recast as a sum over partitions of the rapidities of the magnons. We then introduce a non-perturbative framework, called the ‘hexagon approach’, and explain how one can use the symmetries and integrability to determine the structure constants.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

2022 Prentice Award Lecture: Advancing Retinal Imaging and Visual Function in Patient Management and Disease Mechanisms

Patient-based research plays a key role in probing basic visual mechanisms. Less-well recognized is the role of patient-based retinal imaging and visual function studies in elucidating disease mechanisms, which are accelerated by advances in imaging and function techniques and are most powerful when combined with the results from histology and animal models. A patient's visual complaints can be one key to patient management, but human data are also key to understanding disease mechanisms. Unfortunately, pathological changes can be difficult to detect. Before advanced retinal imaging, the measurement of visual function indicated the presence of pathological changes that were undetectable with existing clinical examination. Over the past few decades, advances in retinal imaging have increasingly revealed the unseen. This has led to great strides in the management of many diseases, particularly diabetic retinopathy and macular edema, and age-related macular degeneration. It is likely widely accepted that patient-based research, as in clinical trials, led to such positive outcomes. Both visual function measures and advanced retinal imaging have clearly demonstrated differences among retinal diseases. Contrary to initial thinking, sight-threatening damage in diabetes occurs to the outer retina and not only to the inner retina. This has been clearly indicated in patient results but has only gradually entered the clinical classifications and understanding of disease etiology. There is strikingly different pathophysiology for age-related macular degeneration compared with photoreceptor and retinal pigment epithelial genetic defects, yet research models and even some treatments confuse these. It is important to recognize the role that patient-based research plays in probing basic visual mechanisms and elucidating disease mechanisms, combining these findings with the concepts from histology and animal models. Thus, this article combines sample instrumentation from my laboratory and progress in the fields of retinal imaging and visual function.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Verification, Validation, and Uncertainty Quantification in Thermal Hydraulics, Freeman Scholar Lecture (2019)

Engineering problems are generally solved by analytical models or computer codes. These models, in addition to conservation equations, also include many empirical relationships and approximate numerical methods. Each of these components contributes to the uncertainty in the prediction. A systematic approach to judge the applicability of the code to the intended application is needed. It starts from verification of implementation of formulation in the code, identification of important phenomena, finding relevant tests with quantified uncertainty for these phenomena, and validation of the code by comparing predictions with the relevant test data. The relevant tests must address phenomena as expected in the intended application. In case of small size or limited condition tests, the scaling analyses are needed to assess the relevancy of the tests. Finally, a statement of uncertainty in the prediction is needed. Systematic approaches are described to aggregate uncertainties from different components of the code for intended application. Here, verification, validation, and uncertainty quantifications (VVUQs) are briefly described.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2014

MO-B-16A-01: Memorial to Donald D. Tolbert - Memorial Lecture

The Medical Physics community lost one of its prominent leaders in April, 2013 with the passing of Donald D. Tolbert, PhD. He received his Doctorate at the University of Kansas followed by post Doctoral training at Florida State University and the University of Wisconsin. He was Chief of Radiation Therapy Medical Physics at the University of Wisconsin Hospital for 7 years before relocating to Honolulu Hawaii, where he founded the consulting group Mid-Pacific Medical Physics. Don was a leader in both the AAPM and the ACR, chairing the Professional Council and the Commission on Medical Physics. He was active on the AAPM Board of Directors and a member of the ACR Board of Chancellors. Dr. Tolbert's approach to the difficult problems of the times was admired and respected by colleagues in Medical Physics, Radiation Oncology, and Diagnostic Radiology. He always rose above the heated political rhetoric and led the discussion to higher ground. His wisdom was continually sought to solve complicated problems. Following retirement, he returned to homes in Kansas and Colorado, devoting his time to writing about coping with diabetes and providing support for Seniors in Beloit Kansas. Don is survived by his wife, Mattie, his 3 children and 5 grandchildren. He will be greatly missed.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2014

MO-D-BRD-01: Memorial to Bengt Bjarngard - Memorial Lecture

We lost a legendary medical physicist, Dr. Bengt Erik Bjarngard, to angiosarcoma an aggressive type of cancer. He devoted his life to providing improved methods of radiation treatment for this devastating disease over the last 36 years. Bengt was born in a rural village of Bjarnum in southern Sweden, located near forest and is known for its furniture making. He migrated to USA at the age of 35 and was recruited by Dr. Samuel Hellman to lead a group of physicists that became the “mecca of medical physics” known as the Joint Center of Radiation Therapy (JCRT) at Harvard Medical School in Boston. Bengt mentored some of the best physicists in the country, and many of our modern treatments go back to the early days of research at the JCRT. These accomplishments, dating from 1969–1989, include: dose optimization using computer control; soft wedges; stereotactic radiosurgery (SRS); total-body irradiation (TBI); CT-planning; and radiation dosimetry. Bengt worked at Brown University in Rhode Island and at the University of Pennsylvania in Philadelphia, where he provided major contributions in radiation dosimetry, specifically with the head scatter model. He advocated superior calculation algorithm through the Helax treatment planning system that was on par from most commercial systems. Bengt served as AAPM president in 1979 and was a recipient of the Coolidge Award in 1998. He had a lifelong love of nature, retiring in 2000 from the University of Pennsylvania to take care of his 200 acres of homestead forest in Maine. His legacy continues through his contributions to radiation dosimetry. This session, on small field dosimetry, is a small tribute to his memory. Further details can be found in his obituary in Med Phy, 41(4), 040801, 2014.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

WE-A-207-01: Memorial Lecturer

The Medical Physics community lost one of its early pioneers in radiation oncology physics, Jacques Ovadia, who passed away in April of 2014 at the age of 90. Jacques received his Ph.D. in Nuclear Physics from the University of Illinois at Urbana in 1951. Subsequently, under the guidance of John Laughlin, he was introduced to the field of Medical Physics. When John moved to Memorial Sloan Kettering, Jacques followed him. There he gained clinical experience and expertise in the then cutting-edge field of high energy electron beam therapy. In 1956, Jacques joined Dr. Erich Uhlmann at Michael Reese Hospital in Chicago where one of the country’s first high energy medical linear accelerators had just been installed. During his 35 year tenure, Dr. Ovadia built a strong Medical Physics department that merged in 1984 with that of the University of Chicago. Jacques pioneered the use of high energy electron beams to treat deep seated tumors, multiple-field chest wall irradiation with variable electron energies, and even anticipated the current interest in high energy electron beam grid-therapy. At an early stage, he introduced a simulator, computerized treatment planning and in-house developed record and verify software. He retired in 1990 as Professor emeritus in Radiation and Cellular Biology at the University of Chicago. Dr. Ovadia was an early and strong supporter of AAPM. He was present at the Chicago ROMPS meeting where the decision was made to form an independent professional society for medical physics. He served as AAPM president in 1976. Jacques Ovadia is survived by his wife of 58 years, Florence, their daughter Corinne Graefe and son Marc Ovadia, MD, as well as four grandchildren and one great-grandchild. Jacques’ dynamic and ever enthusiastic personality inspired all who collaborated with him. He will be greatly missed.

60 APPLIED LIFE SCIENCES↗