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Theoretical design and discovery of the most-promising, previously overlooked hybrid perovskite compounds

The material class of hybrid organic-inorganic perovskites (AMX3) has risen rapidly from a virtually unknown material in photovoltaic applications a short 8-years ago into 20-23% efficient thin-film solar cell devices. As promising as this class of materials is, however, there are limitations associated with its poor long-term stability, non-optimal band gap, and the presence of toxic Pb atom on the metalloid site. An Edisonian laboratory exploration (i.e., growth + characterization) via trial-and-error processes of all other candidate materials, is unpractical. Our approach uses high speed computational design and discovery to screen the ‘best of class” candidates based upon optimal functionalities.

14 SOLAR ENERGY↗

WE-G-213-01: Roentgen and the Birth of Modern Medical Physics

Roentgen and the Birth of Modern Medical Physics – Perry Sprawls Wilhelm Roentgen is well known for his discovery of x-radiation. What is less known and appreciated is his intensive research following the discovery to determine the characteristics of the “new kind of radiation” and demonstrate its great value for medical purposes. In this presentation we will imagine ourselves in Roentgen’s mind and follow his thinking, including questions and doubts, as he designs and conducts a series of innovative experiments that provided the foundation for the rapid growth of medical physics. Learning Objectives: Become familiar with the personal characteristics and work of Prof. Roentgen that establishes him as an inspiring model for the medical physics profession. Observe the thought process and experiments that determined and demonstrated the comprehensive characteristics of x-radiation. The AAPM Award Eponyms: William D. Coolidge, Edith H. Quimby, and Marvin M.D. Williams - Who were they and what did they do? – Lawrence N. Rothenberg William David Coolidge (1873–1975) William Coolidge was born in Hudson, NY in 1873. He obtained his BS at the Massacusetts Institute of Technology in 1896. Coolidge then went to the University of Leipzig, Germany for graduate study with physicists Paul Drude and Gustave Wiedemann and received a Ph.D. in 1899. While in Germany he met Wilhelm Roentgen. Coolidge returned to the US to teach at MIT where he was associated with Arthur A. Noyes of the Chemistry Department, working on the electrical conductivity of aqueous solutions. Willis R. Whitney, under whom Coolidge had worked before going to Germany, became head of the newly formed General Electric Research Laboratory and he invited Coolidge to work with him. In 1905, Coolidge joined the staff of the GE laboratory and was associated with it for the remainder of his life. He developed ductile tungsten filaments to replace fragile carbon filaments as the material for electric light bulb filaments. Until that innovation light bulbs had a notoriously short life. He later incorporated the ductile tungsten as a filament material for a hot cathode, fully evacuated x-ray tube, first described in 1912, which allowed higher current and x-ray output, and greater reliability than had previously been possible. These “Coolidge x-ray tubes” were far superior to the cold cathode, partial pressure gas x-ray tubes that had been in use since Roentgen’s discovery of x-rays in 1895. The Coolidge tube with incremental developments is now the key component for x-ray production in all of our modern x-ray imaging devices, such as CT scanners, interventional radiology systems, and mammography units. Coolidge was also involved in the development of sectional x-ray tubes for research and treatment that were initially designed to reach 800 kV. Additional improvements led to 1 MV and 2 MV devices. In 1932 Coolidge became director of the General Electric Research Laboratory, and in 1940, was made Vice-President and Director of Research. In 1945 he retired and was named Director Emeritus of the laboratory. Coolidge held 83 patents and was recognized for these and many other achievements by election to the National Academy of Engineers, a place in the Engineering Hall of Fame and the National Inventor’s Hall of Fame. The AAPM’s highest honor, the Coolidge Award, was named after him. He accepted Honorary Membership in the AAPM and was the first recipient of the AAPM Coolidge Award, which was presented to him in a special ceremony in Schenectady, NY in 1972 when he was 100 years old. Edith Hinckley Quimby (1891–1982) Edith Quimby was born in Rockford, IL in 1891. She graduated from Whitman College in Walla Walla, WA with a B.S. in 1913, and then obtained a masters degree from the University of California at Berkeley. Later in her career, after many significant achievements, Quimby was awarded honorary doctorates by Whitman College and Rutgers University. Edith Quimby was hired by Giacchino Failla as a radiation physicist at Memorial Hospital for Cancer in New York City. Failla had studied with Madame Curie and obtained his doctoral degree in her laboratory. After many groundbreaking medical physics studies from 1919 until 1942, they both moved to Columbia University. Dr. Quimby developed a widely employed dosimetry system for single plane implants with radium and radon seeds, and a dosimetry methodology for internal radionuclides. She was author of more than 75 scientific publications, and of significant textbooks including the first comprehensive physics textbook for radiologists “Physical Foundations of Radiology”, which was co-authored with Otto Glasser, Lauriston Taylor and James Weatherwax in the first edition, with Russell Morgan added for the second edition and Paul Goodwin for the fourth edition. With Sergei Feitelberg, M.D. she published two editions of “Radioactive Isotopes in Medicine and Biology: Basic Physics and Instrumentation”. Quimby became a renowned examiner for the American Board of Radiology when the third ABR examination, given in 1936, added physics. She served as President of the American Radium Society, received the RSNA Gold Medal, and also numerous prestigious awards given to women in science. Edith Quimby was a Charter Member of AAPM. The AAPM Lifetime Achievement Award was renamed the Edith H. Quimby Lifetime Achievement Award in her honor in 2011. Marvin Martin Dixon Williams (1902–1981) Marvin Williams was born in Walla Walla, WA in 1902, and attended the same college as Edith Quimby, graduating from Whitman College in 1926. He was greatly influenced to go into medical physics by her accomplishments. During his early career, Williams worked with James Weatherwax in Philadelphia while he was working toward an M.S. from the University of Pennsylvania. In 1931 Williams was awarded a Ph.D. in Biophysics from the University of Minnesota, with the work actually performed at the Mayo Clinic Graduate School of the University. While completing his Ph.D. studies, Marvin met Dr. Paul Hodges who had returned from the Peiping Union Medical College in Peiping (now Beijing), China. Hodges suggested that a physicist be sent to Peiping to install x-ray therapy equipment and a radon plant. Williams accepted the position and, in 1931, he and his wife Orpha left for China. Before going to China, Williams had spent time with the physics group at Memorial Hospital to learn about the operation of a radon plant. In China, he constructed the radon plant, employing 0.25 g of radium, and also installed the x-ray therapy unit. Williams and his wife returned to the US in 1935, and he accepted a research position at the Mayo Clinic. In 1950, he became Professor of Biophysics at Mayo, where he taught physics and biophysics until his retirement in 1967. Williams was also very active in the American Board of Radiology where, from 1944 through 1977, he examined over 3000 radiologists and 250 physicists. Marvin Williams was a Charter member of AAPM, served as the fourth President of AAPM in 1963, and was the fourth recipient the AAPM Coolidge Award in 1975. The Marvin Williams Award was originally established as the highest award of the American College of Medical Physics. When various functions of the ACMP were absorbed into the AAPM in 2012, the Marvin M D Williams Professional Achievement Award became one of the AAPM’s highest honors. Learning Objectives: Become familiar with the persons in whose honor the three major AAPM Award are named Learn about the achievements and activities which influenced the AAPM to name these awards in their honor.

60 APPLIED LIFE SCIENCES↗

WE-G-213-00: History Symposium: Radiological Physics Pioneers: Roentgen and the AAPM Award Eponyms - William Coolidge, Edith Quimby, and Marvin Williams - Who Were They and What Did They Do?

Roentgen and the Birth of Modern Medical Physics – Perry Sprawls Wilhelm Roentgen is well known for his discovery of x-radiation. What is less known and appreciated is his intensive research following the discovery to determine the characteristics of the “new kind of radiation” and demonstrate its great value for medical purposes. In this presentation we will imagine ourselves in Roentgen’s mind and follow his thinking, including questions and doubts, as he designs and conducts a series of innovative experiments that provided the foundation for the rapid growth of medical physics. Learning Objectives: Become familiar with the personal characteristics and work of Prof. Roentgen that establishes him as an inspiring model for the medical physics profession. Observe the thought process and experiments that determined and demonstrated the comprehensive characteristics of x-radiation. The AAPM Award Eponyms: William D. Coolidge, Edith H. Quimby, and Marvin M.D. Williams - Who were they and what did they do? – Lawrence N. Rothenberg William David Coolidge (1873–1975) William Coolidge was born in Hudson, NY in 1873. He obtained his BS at the Massacusetts Institute of Technology in 1896. Coolidge then went to the University of Leipzig, Germany for graduate study with physicists Paul Drude and Gustave Wiedemann and received a Ph.D. in 1899. While in Germany he met Wilhelm Roentgen. Coolidge returned to the US to teach at MIT where he was associated with Arthur A. Noyes of the Chemistry Department, working on the electrical conductivity of aqueous solutions. Willis R. Whitney, under whom Coolidge had worked before going to Germany, became head of the newly formed General Electric Research Laboratory and he invited Coolidge to work with him. In 1905, Coolidge joined the staff of the GE laboratory and was associated with it for the remainder of his life. He developed ductile tungsten filaments to replace fragile carbon filaments as the material for electric light bulb filaments. Until that innovation light bulbs had a notoriously short life. He later incorporated the ductile tungsten as a filament material for a hot cathode, fully evacuated x-ray tube, first described in 1912, which allowed higher current and x-ray output, and greater reliability than had previously been possible. These “Coolidge x-ray tubes” were far superior to the cold cathode, partial pressure gas x-ray tubes that had been in use since Roentgen’s discovery of x-rays in 1895. The Coolidge tube with incremental developments is now the key component for x-ray production in all of our modern x-ray imaging devices, such as CT scanners, interventional radiology systems, and mammography units. Coolidge was also involved in the development of sectional x-ray tubes for research and treatment that were initially designed to reach 800 kV. Additional improvements led to 1 MV and 2 MV devices. In 1932 Coolidge became director of the General Electric Research Laboratory, and in 1940, was made Vice-President and Director of Research. In 1945 he retired and was named Director Emeritus of the laboratory. Coolidge held 83 patents and was recognized for these and many other achievements by election to the National Academy of Engineers, a place in the Engineering Hall of Fame and the National Inventor’s Hall of Fame. The AAPM’s highest honor, the Coolidge Award, was named after him. He accepted Honorary Membership in the AAPM and was the first recipient of the AAPM Coolidge Award, which was presented to him in a special ceremony in Schenectady, NY in 1972 when he was 100 years old. Edith Hinckley Quimby (1891–1982) Edith Quimby was born in Rockford, IL in 1891. She graduated from Whitman College in Walla Walla, WA with a B.S. in 1913, and then obtained a masters degree from the University of California at Berkeley. Later in her career, after many significant achievements, Quimby was awarded honorary doctorates by Whitman College and Rutgers University. Edith Quimby was hired by Giacchino Failla as a radiation physicist at Memorial Hospital for Cancer in New York City. Failla had studied with Madame Curie and obtained his doctoral degree in her laboratory. After many groundbreaking medical physics studies from 1919 until 1942, they both moved to Columbia University. Dr. Quimby developed a widely employed dosimetry system for single plane implants with radium and radon seeds, and a dosimetry methodology for internal radionuclides. She was author of more than 75 scientific publications, and of significant textbooks including the first comprehensive physics textbook for radiologists “Physical Foundations of Radiology”, which was co-authored with Otto Glasser, Lauriston Taylor and James Weatherwax in the first edition, with Russell Morgan added for the second edition and Paul Goodwin for the fourth edition. With Sergei Feitelberg, M.D. she published two editions of “Radioactive Isotopes in Medicine and Biology: Basic Physics and Instrumentation”. Quimby became a renowned examiner for the American Board of Radiology when the third ABR examination, given in 1936, added physics. She served as President of the American Radium Society, received the RSNA Gold Medal, and also numerous prestigious awards given to women in science. Edith Quimby was a Charter Member of AAPM. The AAPM Lifetime Achievement Award was renamed the Edith H. Quimby Lifetime Achievement Award in her honor in 2011. Marvin Martin Dixon Williams (1902–1981) Marvin Williams was born in Walla Walla, WA in 1902, and attended the same college as Edith Quimby, graduating from Whitman College in 1926. He was greatly influenced to go into medical physics by her accomplishments. During his early career, Williams worked with James Weatherwax in Philadelphia while he was working toward an M.S. from the University of Pennsylvania. In 1931 Williams was awarded a Ph.D. in Biophysics from the University of Minnesota, with the work actually performed at the Mayo Clinic Graduate School of the University. While completing his Ph.D. studies, Marvin met Dr. Paul Hodges who had returned from the Peiping Union Medical College in Peiping (now Beijing), China. Hodges suggested that a physicist be sent to Peiping to install x-ray therapy equipment and a radon plant. Williams accepted the position and, in 1931, he and his wife Orpha left for China. Before going to China, Williams had spent time with the physics group at Memorial Hospital to learn about the operation of a radon plant. In China, he constructed the radon plant, employing 0.25 g of radium, and also installed the x-ray therapy unit. Williams and his wife returned to the US in 1935, and he accepted a research position at the Mayo Clinic. In 1950, he became Professor of Biophysics at Mayo, where he taught physics and biophysics until his retirement in 1967. Williams was also very active in the American Board of Radiology where, from 1944 through 1977, he examined over 3000 radiologists and 250 physicists. Marvin Williams was a Charter member of AAPM, served as the fourth President of AAPM in 1963, and was the fourth recipient the AAPM Coolidge Award in 1975. The Marvin Williams Award was originally established as the highest award of the American College of Medical Physics. When various functions of the ACMP were absorbed into the AAPM in 2012, the Marvin M D Williams Professional Achievement Award became one of the AAPM’s highest honors. Learning Objectives: Become familiar with the persons in whose honor the three major AAPM Award are named Learn about the achievements and activities which influenced the AAPM to name these awards in their honor.

60 APPLIED LIFE SCIENCES↗

WE-G-213-02: The AAPM Award Eponyms: William D. Coolidge, Edith H. Quimby, and Marvin M.D. Williams - Who Were They and What Did They Do?

Roentgen and the Birth of Modern Medical Physics – Perry Sprawls Wilhelm Roentgen is well known for his discovery of x-radiation. What is less known and appreciated is his intensive research following the discovery to determine the characteristics of the “new kind of radiation” and demonstrate its great value for medical purposes. In this presentation we will imagine ourselves in Roentgen’s mind and follow his thinking, including questions and doubts, as he designs and conducts a series of innovative experiments that provided the foundation for the rapid growth of medical physics. Learning Objectives: Become familiar with the personal characteristics and work of Prof. Roentgen that establishes him as an inspiring model for the medical physics profession. Observe the thought process and experiments that determined and demonstrated the comprehensive characteristics of x-radiation. The AAPM Award Eponyms: William D. Coolidge, Edith H. Quimby, and Marvin M.D. Williams - Who were they and what did they do? – Lawrence N. Rothenberg William David Coolidge (1873–1975) William Coolidge was born in Hudson, NY in 1873. He obtained his BS at the Massacusetts Institute of Technology in 1896. Coolidge then went to the University of Leipzig, Germany for graduate study with physicists Paul Drude and Gustave Wiedemann and received a Ph.D. in 1899. While in Germany he met Wilhelm Roentgen. Coolidge returned to the US to teach at MIT where he was associated with Arthur A. Noyes of the Chemistry Department, working on the electrical conductivity of aqueous solutions. Willis R. Whitney, under whom Coolidge had worked before going to Germany, became head of the newly formed General Electric Research Laboratory and he invited Coolidge to work with him. In 1905, Coolidge joined the staff of the GE laboratory and was associated with it for the remainder of his life. He developed ductile tungsten filaments to replace fragile carbon filaments as the material for electric light bulb filaments. Until that innovation light bulbs had a notoriously short life. He later incorporated the ductile tungsten as a filament material for a hot cathode, fully evacuated x-ray tube, first described in 1912, which allowed higher current and x-ray output, and greater reliability than had previously been possible. These “Coolidge x-ray tubes” were far superior to the cold cathode, partial pressure gas x-ray tubes that had been in use since Roentgen’s discovery of x-rays in 1895. The Coolidge tube with incremental developments is now the key component for x-ray production in all of our modern x-ray imaging devices, such as CT scanners, interventional radiology systems, and mammography units. Coolidge was also involved in the development of sectional x-ray tubes for research and treatment that were initially designed to reach 800 kV. Additional improvements led to 1 MV and 2 MV devices. In 1932 Coolidge became director of the General Electric Research Laboratory, and in 1940, was made Vice-President and Director of Research. In 1945 he retired and was named Director Emeritus of the laboratory. Coolidge held 83 patents and was recognized for these and many other achievements by election to the National Academy of Engineers, a place in the Engineering Hall of Fame and the National Inventor’s Hall of Fame. The AAPM’s highest honor, the Coolidge Award, was named after him. He accepted Honorary Membership in the AAPM and was the first recipient of the AAPM Coolidge Award, which was presented to him in a special ceremony in Schenectady, NY in 1972 when he was 100 years old. Edith Hinckley Quimby (1891–1982) Edith Quimby was born in Rockford, IL in 1891. She graduated from Whitman College in Walla Walla, WA with a B.S. in 1913, and then obtained a masters degree from the University of California at Berkeley. Later in her career, after many significant achievements, Quimby was awarded honorary doctorates by Whitman College and Rutgers University. Edith Quimby was hired by Giacchino Failla as a radiation physicist at Memorial Hospital for Cancer in New York City. Failla had studied with Madame Curie and obtained his doctoral degree in her laboratory. After many groundbreaking medical physics studies from 1919 until 1942, they both moved to Columbia University. Dr. Quimby developed a widely employed dosimetry system for single plane implants with radium and radon seeds, and a dosimetry methodology for internal radionuclides. She was author of more than 75 scientific publications, and of significant textbooks including the first comprehensive physics textbook for radiologists “Physical Foundations of Radiology”, which was co-authored with Otto Glasser, Lauriston Taylor and James Weatherwax in the first edition, with Russell Morgan added for the second edition and Paul Goodwin for the fourth edition. With Sergei Feitelberg, M.D. she published two editions of “Radioactive Isotopes in Medicine and Biology: Basic Physics and Instrumentation”. Quimby became a renowned examiner for the American Board of Radiology when the third ABR examination, given in 1936, added physics. She served as President of the American Radium Society, received the RSNA Gold Medal, and also numerous prestigious awards given to women in science. Edith Quimby was a Charter Member of AAPM. The AAPM Lifetime Achievement Award was renamed the Edith H. Quimby Lifetime Achievement Award in her honor in 2011. Marvin Martin Dixon Williams (1902–1981) Marvin Williams was born in Walla Walla, WA in 1902, and attended the same college as Edith Quimby, graduating from Whitman College in 1926. He was greatly influenced to go into medical physics by her accomplishments. During his early career, Williams worked with James Weatherwax in Philadelphia while he was working toward an M.S. from the University of Pennsylvania. In 1931 Williams was awarded a Ph.D. in Biophysics from the University of Minnesota, with the work actually performed at the Mayo Clinic Graduate School of the University. While completing his Ph.D. studies, Marvin met Dr. Paul Hodges who had returned from the Peiping Union Medical College in Peiping (now Beijing), China. Hodges suggested that a physicist be sent to Peiping to install x-ray therapy equipment and a radon plant. Williams accepted the position and, in 1931, he and his wife Orpha left for China. Before going to China, Williams had spent time with the physics group at Memorial Hospital to learn about the operation of a radon plant. In China, he constructed the radon plant, employing 0.25 g of radium, and also installed the x-ray therapy unit. Williams and his wife returned to the US in 1935, and he accepted a research position at the Mayo Clinic. In 1950, he became Professor of Biophysics at Mayo, where he taught physics and biophysics until his retirement in 1967. Williams was also very active in the American Board of Radiology where, from 1944 through 1977, he examined over 3000 radiologists and 250 physicists. Marvin Williams was a Charter member of AAPM, served as the fourth President of AAPM in 1963, and was the fourth recipient the AAPM Coolidge Award in 1975. The Marvin Williams Award was originally established as the highest award of the American College of Medical Physics. When various functions of the ACMP were absorbed into the AAPM in 2012, the Marvin M D Williams Professional Achievement Award became one of the AAPM’s highest honors. Learning Objectives: Become familiar with the persons in whose honor the three major AAPM Award are named Learn about the achievements and activities which influenced the AAPM to name these awards in their honor.

60 APPLIED LIFE SCIENCES↗

Additive Manufacturing for Powering the Blue Economy Applications: A Tidal Turbine Blade Case Study: Preprint

As the marine renewable energy industry continues to expand, innovation in the manufacturing space must grow accordingly to reduce costs and ensure the economic feasibility of new technologies. Additive manufacturing, more commonly known as 3D printing, provides an alternative for rapid prototyping of marine hydrokinetic technologies, particularly supporting Powering the Blue Economy initiatives of the U.S. Department of Energy Water Power Technologies Office. This study explores the application of additive manufacturing in the development of marine hydrokinetic structures, focusing on material and printing method selection, design, and analysis of a 3D-printed spar for an axial-flow tidal turbine blade. Corrosion-resistant metals were deemed ideal due to the loads and harsh marine environment the blade would experience. Laser metal deposition methods were determined to be the most effective and scalable for the considered scale. The designed spar adapts its geometry to the blade - a feature uniquely suited to additive manufacturing - and is intended to serve as the blade's primary structural component. A finite element model was used to study stresses and deformations under loading conditions. The spar was manufactured using 316L stainless steel through direct energy deposition, and defects were assessed and recorded. Future efforts will include mechanical testing of the spar. This research establishes a benchmark process for using additive manufacturing in developing marine hydrokinetic structures, paving the way for future optimization and techno-economic analysis.

additive manufacturing↗

Direct thermal visualization of micro-scale hydrogen evolution reactions in proton exchange membrane electrolyzer cells

The heat generated from electrochemical reactions has been considered one of the most significant issues in terms of the reliability of energy conversion devices. So far, no systematic study on the relation between heat generation and electrochemical reaction exists, especially in the form of experiments. In this study, changes of the temperature distribution and hydrogen evolution reaction (HER) on the catalyst coated membrane (CCM) in proton exchange membrane electrolyzer cells (PEMECs) are in-situ visualized with the help of a novel PEMEC design, thermal spectroscopy and high-speed visualization system. At the channel-scale, the temperature increases rapidly for most of the active areas, and finally reaches the equilibrium state at 27 °C. The temperature distribution is non-uniform throughout the process. In addition, a series of pore-scale analyses are provided to clarify the relation between the temperature distribution and electrochemical reaction area. More interestingly, the rapid heat generation areas are found to be in a good agreement with the electrochemical reaction areas, which confirms that the heat is released during the reaction processes. Finally, the temperature evolution phenomena on the LGDL surface have also been recorded. These findings could help better understand the correlation between the cathode side electrochemical reaction and heat generation.

30 DIRECT ENERGY CONVERSION↗

Rapid Conditioning for the Next Generation Melting System

This report describes work on Rapid Conditioning for the Next Generation Melting System under US Department of Energy Contract DE-FC36-06GO16010. The project lead was the Gas Technology Institute (GTI). Partners included Owens Corning and Johns Manville. Cost share for this project was provided by NYSERDA (the New York State Energy Research and Development Authority), Owens Corning, Johns Manville, Owens Illinois, and the US natural gas industry through GTI’s SMP and UTD programs. The overreaching focus of this project was to study and develop rapid refining approaches for segmented glass manufacturing processes using high-intensity melters such as the submerged combustion melter. The objectives of this project were to 1) test and evaluate the most promising approaches to rapidly condition the homogeneous glass produced from the submerged combustion melter, and 2) to design a pilot-scale NGMS system for fiberglass recycle.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Monte Carlo Radiation Transport for Astrophysical Transients Powered by Circumstellar Interaction

In this paper, we introduce SuperLite, an open-source Monte Carlo radiation transport code designed to produce synthetic spectra for astrophysical transient phenomena affected by circumstellar interaction. SuperLite utilizes Monte Carlo methods for semi-implicit, semirelativistic radiation transport in high-velocity shocked outflows, employing multigroup structured opacity calculations. The code enables rapid post-processing of hydrodynamic profiles to generate high-quality spectra that can be compared with observations of transient events, including superluminous supernovae, pulsational pair-instability supernovae, and other peculiar transients. We present the methods employed in SuperLite and compare the code's performance to that of other radiative transport codes, such as SuperNu and CMFGEN. We show that SuperLite has successfully passed standard Monte Carlo radiation transport tests and can reproduce spectra of typical supernovae of Type Ia, Type IIP, and Type IIn.

79 ASTRONOMY AND ASTROPHYSICS↗

Portable Device Slices Thermoplastic Prepregs

Prepreg slitter designed to slit various widths rapidly by use of slicing bar holding several blades, each capable of slicing strip of preset width in single pass. Produces material evenly sliced and does not contain jagged edges. Used for various applications in such batch processes involving composite materials as press molding and autoclaving, and in such continuous processes as pultrusion. Useful to all manufacturers of thermoplastic composites, and in slicing B-staged thermoset composites.

Taylor, Beverly A.↗

Vapor phase pyrolysis

The vapor phase pyrolysis process is designed exclusively for the lunar production of oxygen. In this concept, granulated raw material (soil) that consists almost entirely of metal oxides is vaporized and the vapor is raised to a temperature where it dissociates into suboxides and free oxygen. Rapid cooling of the dissociated vapor to a discrete temperature causes condensation of the suboxides, while the oxygen remains essentially intact and can be collected downstream. The gas flow path and flow rate are maintained at an optimum level by control of the pressure differential between the vaporization region and the oxygen collection system with the aid of the environmental vacuum.

Steurer, Wolfgang↗

VentureStar(tm) Payload Processing Concept

The philosophy and the operations concept of the VentureStar(tm) payload processing system is presented. The goal of VentureStar(tm) operations is to provide low cost access to space. This is to be achieved through the design of the vehicle, and operability of the ground system. Specifically, this is to be accomplished through rapid turnaround cycles, increased launch rate, high system reliability and availability and reduced required operations personnel. This is presented in viewgraph format.

Sharp, Susan↗

Experimental Results of a Rapidly Cycled Temperature Swing Adsorption Pump in a Terrestrial Environment

To improve the increasing CO 2 levels on Earth, technology for carbon capture and utilization must be efficient and cost effective. One major contributor of atmospheric CO 2 is post-combustion flue gas, which can contain up to 20% CO 2 . Scrubbing this CO 2 could reduce the environmental impact of this common industrial process. In off-Earth environments, capturing and utilizing CO 2 from space resources is useful for crewed spaceflight life support. Specifically, the Bosch process, which produces water and carbon powder by reacting CO 2 and hydrogen, is a possible in-situ resource utilization (ISRU) architecture for the Moon and Mars. The Rapid Cycle Temperature Swing Adsorption (RC-TSA) pump is an innovative technology designed to capture CO 2 efficiently. The RC-TSA leverages a stacked plate geometry to cycle multiple zeolite-coated beds. The thin layers allow for rapid heat transfer of the zeolite coating, which improves performance over previously tested pump designs. The design is favorable for scalability and manufacturability, which are forward work. Initial testing of the sorption pump using a simulated flue gas environment shows favorable breakthrough capacities and reduced cycle times. Results show promise for on- and off-Earth applications, such as a Martian surface and crewed spaceflight environments.

adsorption pump↗

A Joint Experimental/Computational Study of Non-Idealities in Practical Rotating Detonation Engines. Final Project Report, 10/2015 - 09/2020

The overall goal of this work is to understand non-ideal effects in practical rotating detonation engines (RDEs) that impede the realization of theoretical detonation cycle efficiencies. The main limitations in RDE operability and performance are associated with practical design considerations, where non-idealities, such as incomplete mixing, fuel leakage, secondary deflagration, instabilities and geometry-dependent effects, reduce the effectiveness of the detonation-based compression cycle. The goal of this work is to take a fundamental point of view, and use detailed experiments and simulations to understand non-ideal effects, their contribution to loss in pressure gain, and RDE operability limitations. Current research is mainly focused on design and overall operability of RDEs. Our approach is instead to look at the physics of basic processes occurring in RDEs. In particular, we consider processes associated with non-idealities and we use a combination of laser and non-laser diagnostics and large eddy simulation/direct numerical simulation computations to investigate these underlying phenomena. By advancing the fundamental science of detonation wave propagation in RDE flowfields, and subject to non-ideal conditions, will enable design to progress more rapidly. This work is a collaborative work involving experiments, simulations and external domain experts to understand the physics behind RDEs and non-idealities. Through collaboration between experimentalists and modelers, we have developed targeted experiments to investigate fundamental aspects of the operation of an RDE. Furthermore, we have developed advanced combustion models that account for non-ideal effects in the operation of an RDE and are able to capture the complexities of realistic RDE configurations. We conduct detailed physical and computational experiments to investigate the flame structure ahead and behind detonation fronts in the presence of non-uniform or incomplete mixing, leakage and secondary combustion. We use optical and laser diagnostics to identify the structure of the detonation wave. We consider different working parameters, such injection scheme, geometry, flow rates and equivalence ratios. We brought in DNS/LES capabilities to RDE design by specifically incorporating detailed kinetics and pressure-sensitive combustion physics, thus improving upon current practice based on an Euler equations description that do not take into account viscous effects, while the combustion process is introduced using an induction time based global ignition model. These current models lack the capability of capturing non-ideal mixing and fuel stratification effects — limitations that models and analysis developed in this work have been reduced. Furthermore, the significant changes in pressure within the domain due to the detonation requires combustion models with time-varying pressure effects. In this regard, using DNS with detailed chemistry, and developing LES-based combustion models for complex geometries with detonation wave has enable to understand some of the underlying phenomena controlling the operation of these devices. The main objectives developed by the project are the following ones: Objective 1. Develop canonical and operational RDE configurations, as well as imaging-based diagnostics for understanding fuel stratification, leakage, deflagration and detonation structure under non-ideal conditions in RDEs. Objective 2. Develop detailed computational tools for studying detonation wave propagation processes in RDEs. Objective 3. Develop a comprehensive picture of the fundamental physics governing non-idealities and how they impact RDE performance and operability from both experiments and simulations.

03 NATURAL GAS↗

Solid Phase Gradient Alloying Method via ShAPE

Alloying has been used to confer desirable properties to various metallic systems since the bronze age. For example, Ni, Mn, and Cr are alloyed into an Fe matrix to make steel, which has improved strength and corrosion resistance (as displayed in Fig. 1). In addition to the type of alloying elements, the amount of alloying elements added into a matrix is also very critical for a material’s mechanical property, physical property, machinability, and cost. Conventionally, new alloys are discovered by combining alloy precursors and elemental constituents into a mixture and melting them together. The solidified product or ingot represents a usually non-homogeneous combination of the chemistry with a microstructure dictated by the physics of solidification. It is time and energy intensive to optimize the alloying amounts via the casting process and hence, economically not conducive to rapid alloy discovery. In addition, the cast microstructure seen in the as-cast ingot is often not the ideal, nor even desired structure for optimized performance. Cast materials often need further processing such as homogenization, annealing, and deformation work put in through rolling, forging, extruding, etc. to have favorable microstructures and properties. A faster method to discover new alloy combinations and evaluate them in their worked or processed form is needed. Recently, Laser Engineered Net Shaping was applied to fabricate gradient compositional material for alloy designing. However, the mechanical properties of this gradient alloy were poor due to the existence of impurities, oxidation and cracks that are inherent in the melt-solidification process. Because of these limitations, we propose to use a solid-phase process (ShAPE) to create bulk materials (extrudates) that vary in composition from one end of the extruded solid to the other. Various manufacturing methods for alloy design including conventional casting method, laser based combinatorial method and current solid phase gradient alloying method are displayed and compared in Fig. 2. ShAPE machine and a schematic of ShAPE process are displayed in Fig. 3. Starting material is processed by a rotating and plunging die to form an extrudate. We are proposing through this methodology to invent a new, bulk-scale combinatorial technique. With this novel technique, alloying element can be dissolved into the matrix with a continued gradient without bulk melting. Formation of inter-metallics and defects originating from melt processing can be avoided. In addition, the ShAPE process creates the mixed alloy chemistry, and meanwhile subjects the material to severe plastic strain, which induces the favorable “worked” microstructure. Products from the ShAPE process can be tested in hardness directly providing a path to rapid evaluation of mechanical properties. The ability to create graded structures using friction stir processing (FSP) has been demonstrated, however using the ShAPE process we believe will lead to much faster and higher fidelity results. When combined with high throughput screening methods of physical, mechanical and microstructural property characterization, efficiency and accuracy of alloy design can be significantly improved.

36 MATERIALS SCIENCE↗

Assessment of High Gamma Prime Ni-base Superalloy Processability, Geometric Accuracy, and Component Fabricability (CRADA NFE-17-06955 Final Report)

Additive manufacturing (AM), also known as 3D printing, is a rapidly developing technology with tremendous potential in both developmental and production applications. Solar Turbines Incorporated is committed to AM technology for gas turbine applications. The ability to metal 3D print novel designs of turbine blades capable of actual turbine engine operation would effectively reduce design validation cycle time and allow acquisition of key performance data early in a design campaign. In support of Solar’s advanced manufacturing development and ongoing engine efficiency improvement goals, Solar initiated a project to print a full set of Mercury TM 50 stage 2 turbine blades to be run in a development engine, with this Phase 1 program to demonstrate feasibility for fabrication of the geometry from the non-weldable Ni-base superalloy through electron beam melting (EBM).

36 MATERIALS SCIENCE↗

Solvent absorption rate of perfluorosulphonic acid membranes towards understanding direct coating processes

Here we present a method for measurement of the rate of solvent absorption by perfluorosulfonic acid (PFSA) membranes using a force tensiometer. The method presented here can be used as a tool to understand solvent absorption and should provide a rationale for designing catalyst inks for direct coating processes since it is necessary to understand how the absorption rate – on a time scale of seconds to minutes – compares to the time scales of the coating process in order to minimize membrane swelling. This method allows for rapid screening of the absorption and swelling behavior of different solvents and mixtures. Using this method, the absorption of water/1-propanol mixtures were measured for three thicknesses of Nafion PFSA membrane – Nafion 1135, Nafion 115, and Nafion 117. We find that the absorption rate is dependent on the ratio of the solvents as well as the thickness of the membrane. The analysis indicates that the highest absorption rate occurs when the mass percentage of 1-propanol in the mixture is 50%, whereas the lowest rates are for pure water and 1-propanol. In addition, membrane distortion also occurs most quickly for the 50% 1-propanol mixture. Our results suggest that catalyst inks that are highly rich (=90%) in water or 1-propanol are likely best for direct coating as such formulations will minimize absorption and swelling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Robust Copper-Based Nanosponge Architecture Decorated by Ruthenium with Enhanced Electrocatalytic Performance for Ambient Nitrogen Reduction to Ammonia

Electrochemical conversion of nitrogen to green ammonia is an attractive alternative to the Haber–Bosch process. However, it is currently bottlenecked by the lack of highly efficient electrocatalysts to drive the sluggish nitrogen reduction reaction (N2RR). In this work, we strategically design a cost-effective bimetallic Ru–Cu mixture catalyst in a nanosponge (NS) architecture via a rapid and facile method. The porous NS mixture catalysts exhibit a large electrochemical active surface area and enhanced specific activity arising from the charge redistribution for improved activation and adsorption of the activated nitrogen species. Benefiting from the synergistic effect of the Cu constituent on morphology decoration and thermodynamic suppression of the competing hydrogen evolution reaction, the optimized Ru 0.15 Cu 0.85 NS catalyst presents an impressive N 2 RR performance with an ammonia yield rate of 26.25 μg h –1 mg cat. –1 (corresponding to 10.5 μg h –1 cm –2 ) and Faradic efficiency of 4.39% as well as superior stability in alkaline medium, which was superior to that of monometallic Ru and Cu nanostructures. Additionally, this work develops a new bimetallic combination of Ru and Cu, which promotes the strategy to design efficient electrocatalysts for electrochemical ammonia production under ambient conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗