CO2 Storage Lecture - Carnegie Mellon University (2016)
Presented by NETL at CMU Lecture, 2/16
Grant, Timothy↗
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Innovative Solutions To Solve Complex Radioactive Waste Management Problems In The U.S. - 2017 Richard S. Hodes, M.D. Honor Lecture Award - 17609
Ever since Wilhelm Roentgen, Henri Becquerel, and Marie Curie discovered x-rays, radioactivity, and radium, respectively, at the turn of the nineteenth century, nuclear technologies have continued to evolve and significantly enrich the quality of life for mankind. The evolution of such technologies has enabled our society to diagnose medical illnesses without the need for invasive surgeries, treat cancers, conduct research, develop new kinds of pharmaceuticals, preserve our food supply, and generate over 20% of our nation's electricity from commercial nuclear power plants. While these life-changing technologies have significantly enriched our quality of life and advanced our understanding of the sciences, they also generate radioactive waste that must be managed responsibly in a manner that protects public health. Over the past several decades, decision makers have developed a patchwork of policies to safely manage radioactive wastes-policies that are not necessarily based on the risk posed to public health, but more often on the origins of the waste and the manner in which they are defined in federal legislation. However, in the past several years, much progress has been made to better risk-inform the practices of managing Low-Level Radioactive Waste (LLW) in the United States. In 2012, the nation's first regional commercial facility for disposing of Class A, B, and C LLW since the U.S. Congress enacted the Low-Level Radioactive Waste Policy Act of 1980, as amended in 1985, was opened in Andrews County, Texas. Since then, other innovative LLW management solutions have emerged, ranging from cost-effective disposal options for wastes with very low levels of radioactivity to depleted uranium, and perhaps ultimately, for waste exceeding the concentration-based limits for Class C LLW (i.e., Greater Than Class C LLW) as specified in Title 10 of the Code of Federal Regulations (CFR), chap. 61.55. Most recently, a license application for a consolidated interim storage facility for Spent Nuclear Fuel (SNF) is currently under review by the U.S. Nuclear Regulatory Commission (NRC). Should the NRC approve the license application, SNF currently located at 12 shutdown and decommissioned nuclear reactors could be placed into interim storage in Texas. Approval of this license application would facilitate the complete decommissioning of nuclear power plants, returning them to green-fields, and allowing the local communities to re-purpose the lands for further economic development. Over the next decade, many of these waste management challenges that once seemed insurmountable may soon be transformed into a reality. As will be discussed at the award lecture, achieving such possibilities clearly aligns with the vision of creating innovative radioactive waste management solutions for our nation that were championed by the late physician and statesman, Dr. Richard S. Hodes. (authors)
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Lecture Notes on Criticality Safety Validation Using MCNP & Whisper
Training classes for nuclear criticality safety, MCNP documentation. The need for, and problems surrounding, validation of computer codes and data area considered first. Then some background for MCNP & Whisper is given--best practices for Monte Carlo criticality calculations, neutron spectra, S(α,β) thermal neutron scattering data, nuclear data sensitivities, covariance data, and correlation coefficients. Whisper is computational software designed to assist the nuclear criticality safety analyst with validation studies with the Monte Carlo radiation transport package MCNP. Whisper's methodology (benchmark selection – C k 's, weights; extreme value theory – bias, bias uncertainty; MOS for nuclear data uncertainty – GLLS) and usage are discussed.
42 ENGINEERING↗
Nutrition, risk factors, prevention, and imaging: The 2018 Mario Verani Lecture
Heart disease has been the leading cause of death in the United States since 1918. Cardiac mortality rates have dramatically decreased in this era of advanced medical and interventional therapies. However, this has been aptly described as “mopping up the floor instead of turning off the faucet.” With this recognition, prevention in cardiology is poised to become a central focus. Within prevention, dietary intervention is recognized as the single largest opportunity for improved cardiovascular outcomes, including improvement or elimination of cardiac risk factors, prevention of myocardial infarction, stroke and cardiovascular death, and reduction of plaque burden and myocardial ischemia. Cardiac imaging, particularly nuclear perfusion and coronary computed tomographic angiography, plays a critical role in early diagnosis and serial evaluation of myocardial ischemia and coronary artery disease. These techniques have the potential to help refine research protocols and evaluate their success by providing intermediate markers of improved myocardial blood flow and coronary plaque morphology.
62 RADIOLOGY AND NUCLEAR MEDICINE↗
Introductory lecture: atmospheric chemistry in the Anthropocene
The term “Anthropocene” was coined by Professor Paul Crutzen in 2000 to describe an unprecedented era in which anthropogenic activities are impacting planet Earth on a global scale. Greatly increased emissions into the atmosphere, reflecting the advent of the Industrial Revolution, have caused significant changes in both the lower and upper atmosphere. Atmospheric reactions of the anthropogenic emissions and of those with biogenic compounds have significant impacts on human health, visibility, climate and weather. Two activities that have had particularly large impacts on the troposphere are fossil fuel combustion and agriculture, both associated with a burgeoning population. Emissions are also changing due to alterations in land use. This paper describes some of the tropospheric chemistry associated with the Anthropocene, with emphasis on areas having large uncertainties. These include heterogeneous chemistry such as those of oxides of nitrogen and the neonicotinoid pesticides, reactions at liquid interfaces, organic oxidations and particle formation, the role of sulfur compounds in the Anthropocene and biogenic–anthropogenic interactions. A clear and quantitative understanding of the connections between emissions, reactions, deposition and atmospheric composition is central to developing appropriate cost-effective strategies for minimizing the impacts of anthropogenic activities. Finally, the evolving nature of emissions in the Anthropocene places atmospheric chemistry at the fulcrum of determining human health and welfare in the future.
54 ENVIRONMENTAL SCIENCES↗
Spiers Memorial Lecture : Surface-enhanced Raman spectroscopy: from single particle/molecule spectroscopy to ångstrom-scale spatial resolution and femtosecond time resolution
Four decades on, surface-enhanced Raman spectroscopy (SERS) continues to be a vibrant field of research that is growing (approximately) exponentially in scope and applicability while pushing at the ultimate limits of sensitivity, spatial resolution, and time resolution. This introductory paper discusses some aspects related to all four of the themes for this Faraday Discussion. First, the wavelength-scanned SERS excitation spectroscopy (WS-SERES) of single nanosphere oligomers ( viz. , dimers, trimers, etc. ), the distance dependence of SERS, the magnitude of the chemical enhancement mechanism, and the progress toward developing surface-enhanced femtosecond stimulated Raman spectroscopy (SE-FSRS) are discussed. Second, our efforts to develop a continuous, minimally invasive, in vivo glucose sensor based on SERS are highlighted. Third, some aspects of our recent work in single molecule SERS and the translation of that effort to ångstrom-scale spatial resolution in ultrahigh vacuum tip-enhanced Raman spectroscopy (UHV-TERS) and single molecule electrochemistry using electrochemical (EC)-TERS will be presented. Finally, we provide an overview of analytical SERS with our viewpoints on SERS substrates, approaches to address the analyte generality problem ( i.e. target molecules that do not spontaneously adsorb and/or have Raman cross sections <10 -29 cm 2 sr -1 ), SERS for catalysis, and deep UV-SERS.
Chemistry↗
Introductory lecture: when the density of the noninteracting reference system is not the density of the physical system in density functional theory
We develop expressions for electron density defined through the linear response for general density functional approximations, demonstrating results for orbital functionals and for many-body perturbation theory, and explore the connections to developments in DFT.
Jin, Ye↗
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↗
Spiers Memorial Lecture: Assembly-based pathways of crystallization
We review recent investigations into crystal growth by particle attachment, with an emphasis on oriented attachment.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
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↗
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↗
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.↗
Spiers Memorial Lecture: From cold to hot, the structure and structural dynamics of dense ionic fluids
This article presents a perspective on what we think are key topics related to the structure and structural dynamics of ILs and to some extent high-temperature molten salts.
Emerson, Matthew S.↗
Spiers Memorial Lecture: Quantum chemistry, classical heuristics, and quantum advantage
We describe the problems of quantum chemistry, the intuition behind classical heuristic methods used to solve them, a conjectured form of the classical complexity of quantum chemistry problems, and the subsequent opportunities for quantum advantage.
Chan, Garnet Kin-Lic↗
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↗
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↗