Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “physical chemistry”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 199 records · Page 11

Operational and Mission Highlights A Monthly Summary of Top Achievements

In September 2020, the Laboratory’s Chemical Microscopy Facility tripled in size, expanding to 1,000 square feet. Located at TA-46, Building158, this facility houses a unique Laboratory resource. Operated by the Physical Chemistry and Applied Spectroscopy (C-PCS) group, this facility was established to renew the Laboratory’s rich history in radiobiology. The facility combines biological research capabilities with isotope production, as well as radioanalytical and chemical infrastructure. This facility provides space for Biosafety Level 2 (BSL-2) research, with alpha-emitting and other radionuclides of interest associated with biological systems. Equipped with a Class ll/A2 biological safety cabinet, a radiological fume hood and a host of other analytical equipment, this facility serves an effective resource to evaluate the efficacy of targeted alpha therapeutics, as well as the deleterious effects of radiological materials on living organisms. The facility receives funding through LDRD- 20180005DR, “Establishing a Radiotherapeutic Capability to Counter Biothreats,” and the BES Heavy Element Chemistry Program at the Laboratory.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

A Modular System for Increasing Predictiveness for Extreme Climate Predictions

We know that climate change is poised to reshape our world, but we lack clear enough predictions about precisely how. The preponderance of these changes is associated with human activity, specifically the emission of CO 2 and other greenhouse gases. Problematically, projections of climate change continue to be marred by unacceptably large uncertainties which hamper informed decision-making and cost society a chance to adapt proactively and effectively. These uncertainties stem from deficiencies in predictions of future greenhouse gas emissions, but also from inaccuracies in the representation of the physical models used to predict the climate response to such emissions. The uncertainties in projections associated with the inaccurate representation of climate physics, chemistry and biology are similar to those that plagued the first global climate models developed fifty years ago, despite more than a factor 10 8 increase in computer performance. Our transformational question is then, how can the accuracy of climate projections be dramatically improved by applying recent advances in the computational and data sciences to train the models with the wealth of data being constantly collected about the ongoing changes in the climate system?

54 ENVIRONMENTAL SCIENCES↗

Evaluations of the Fates of Alkali Metals, Actinides, Mercury, and Iodine During DWPF Recycle Diversion

The fates of alkali metals, actinides, mercury, and iodine in the Defense Waste Processing Facility Recycle Diversion process (as currently conceptualized) have been evaluated through paper studies based on available knowledge of the chemistry, physical properties, solubility, and volatility of the various species involved. The effect of pH in the range from 9 to 13 has been discussed. Recommendations for additional studies to close technology gaps have been provided, many of which are contingent upon the results of pending testing and sample characterization efforts. There is uncertainty in the amounts of soluble actinides passing through the process filter, though the bulk of the actinides should be captured on the filter with the Recycle Collection Tank solids and the total amounts of actinides should be relatively low. The Recycle Collection Tank pH could impact the fraction of actinides reaching the evaporator, but the primary factors determining the actinide fate are expected to be the amount of CO 2 sorption from air sparging or, for certain actinides (such as plutonium), oxidation and/or sorption to MnO 2 solids from permanganate additions to destroy the glycolate anion. Process optimization could minimize the amounts of actinides passing the filter. Depending upon the levels of mercury observed in recycle stream samples and because of the volatility of mercury, the evaporator should be designed with the capability to remove dense mercury phases from the condensate to avoid exceeding ETP WAC limits. The facility design must be adequate to transfer dense mercury phases and testing to confirm mercury transfer is needed. Simulant containing mercury is recommended for both filtration and evaporation testing. OLI Modeling of the various recycle streams is recommended to provide insight on the fate of iodine. Iodine-spiked simulants are recommended for upcoming evaporation tests. The pro) ect should consider the likelihood and impact of NAS scale formation in the evaporators. Process optimization may be needed to minimize the accumulation of NAS scale and possibly the sorption of actinides in the evaporator. Actual waste testing of the Recycle Diversion filtration and evaporation should include the analysis of actinides, mercury, and iodine to determine their partitioning.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

SiPA | Simple Partnership Agreement for accelerating early-stage collaborations between startups and large corporations

The technologies required to advance society will come from research from a broad range of scientific disciplines including materials science, chemistry, physics, and biology where the innovation relies on a scientific breakthrough rather than a software or business model innovation. This science-based technology focus can be referred to as “hardtech,” although there is much crossover with the concept of “cleantech.” These new technology developments will have vast reach across most industrial sectors - energy, materials, manufacturing, electronics, life sciences, etc. - with great economic consequences. The majority of these scientific breakthroughs will be produced and developed by those companies best suited for high-risk, early-stage development work: startups.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Enhancing Radionuclide Production Capabilities at the Duke University Medical Center Cyclotron with a Focus on Astatine-211

Radionuclides play an important role in a diverse array of fields including physics, chemistry, agriculture, materials science, national security, medical research and patient care. Establishing a reliable domestic supply of key radionuclides is critical to our national competitiveness in these areas. Regarding medical applications, targeted alpha-particle therapy (TAT) has become of great interest to basic researchers and clinicians alike and is emerging as a valuable and cost-effective approach for cancer treatment. Unfortunately, progress in TAT, particularly with regard to its clinical translation, has been severely hampered by the limited availability of the most promising radionuclides at a reasonable cost, and with appropriate chemical and radiochemical purity. In this project, we have attempted to address this problem by focusing on production of the 7.2-h half-life α-particle emitter, 211 At, which has long been considered to be one of the most promising radionuclides for TAT. We note that he critical importance of improving the supply of 211 At in the United States was noted in the Funding Opportunity Announcement related to this project. At Duke University, we have a CS-30 cyclotron that is one of the few accelerators in the United States that has an alpha-particle beam that has enough energy to make useful quantities of 211 At. With this cyclotron, we have been able to produce more 211 At than anywhere else in the world because of our unique internal cyclotron target system. However, the CS-30 cyclotron is nearly 40 years old and was no longer reliable. In addition, its operation required considerable skill, largely because it had analog control systems, and vital parts including old-fashioned power supplies, were becoming unavailable. For these reasons, the current project was undertaken to evaluate all the subsystems of the CS-30 cyclotron and replace, repair, and update them. With help from our consultant, Ionetix, this has now been accomplished. We believe that because of this work, the CS-30 can reliably supply 211 At for basic research and clinical trials both at Duke and beyond.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Advanced Mixed-Mode Pixel Array Detector for X-rays Above 20 keV (Final Report)

The objective of the work reported upon was to perform research and development and test advanced prototype imaging x-ray detectors needed to meet pressing scientific research needs at U.S. x-ray synchrotron user facilities. The high x-ray brightness of the Nation’s x-ray synchrotron sources in the DOE National Laboratories holds promise to advance science and technology in a broad range of fundamental and applied disciplines, including physics, chemistry, biomedical areas and engineering. At present, progress in many areas is being limited not by the x-ray source but by the lack of imaging x-ray detectors capable of meeting experimental needs. Specifically, there is pressing need for imaging detectors with high dynamic range, low noise, high frame rates and the ability to capture x-ray images with x-rays of energy > 20 keV. This Final Technical Report summarizes progress made at Cornell University on novel integrating x-ray detectors that address these characteristics.

36 MATERIALS SCIENCE↗

Data for: Subsurface Interface Structure Controlling Local Electronic Properties of Epitaxial Graphene on SiC(0001)

Recently realized high-mobility semiconducting epitaxial graphene on silicon carbide, provided an important step towards integration of the graphene-based system into active components in post-silicon micro- and nano-electronics. However, the exact atomic-scale structure and the complex bonding configurations of the first epitaxial graphene carbon layer remain an open problem. Our recent report has shed new light on understanding this interface, where the external transverse electric field-dependent dynamic switching behavior of the Cbuffer-SiC bonds was observed. Here, using scanning tunneling microscopy and spectroscopy (STM and STS), we present the direct evidence of silicon (Si) vacancies at the interface and provide their distribution at the topmost reconstructed SiC(0001) layer. Experimental STM and density functional theory modeling data were used in the preparation of figures in a published article in the Journal of Physical Chemistry Letters. Files related to the figures and supplementary materials in the article are present in this dataset in .txt format.

Condensed matter imaging↗

Data for: Subsurface Interface Structure Controlling Local Electronic Properties of Epitaxial Graphene on SiC(0001)

Recently realized high-mobility semiconducting epitaxial graphene on silicon carbide, provided an important step towards integration of the graphene-based system into active components in post-silicon micro- and nano-electronics. However, the exact atomic-scale structure and the complex bonding configurations of the first epitaxial graphene carbon layer remain an open problem. Our recent report has shed new light on understanding this interface, where the external transverse electric field-dependent dynamic switching behavior of the Cbuffer-SiC bonds was observed. Here, using scanning tunneling microscopy and spectroscopy (STM and STS), we present the direct evidence of silicon (Si) vacancies at the interface and provide their distribution at the topmost reconstructed SiC(0001) layer. Experimental STM and density functional theory modeling data were used in the preparation of figures in a published article in the Journal of Physical Chemistry Letters. Files related to the figures and supplementary materials in the article are present in this dataset in .txt format.

Condensed matter imaging↗

Editorial: Deep-sea observation equipment and exploration technology

The increasing interest in deep-sea exploration is a crucial catalyst for driving advancements in deep-sea observation technology research. Numerous sophisticated sensors have been developed to facilitate comprehensive studies in deep-sea physics, chemistry, and geology. For example, cutting-edge small and compact seabed samplers are now employed on various platforms, such as Autonomous Underwater Vehicles (AUVs), Remotely Operated Vehicles (ROVs), and Human-Operated Vehicles (HOVs), enabling observation of the hadal zone. Additionally, Micro-electromechanical systems (MEMS) sensors are routinely utilized for ocean wave observation. This Research Topic aims to foster new insights into ocean exploration and observation technology, including ocean sensor technology, ocean observation platforms, and ocean observation reliability technology.

47 OTHER INSTRUMENTATION↗

Perspective: Biochemical and Physical Constraints Associated With Preparing Thin Specimens for Single-Particle Cryo-EM

While many aspects of single-particle electron cryo-microscopy (cryo-EM) of biological macromolecules have reached a sophisticated level of development, this is not yet the case when it comes to preparing thin samples on specimen grids. As a result, there currently is considerable interest in achieving better control of both the sample thickness and the amount of area that is useful, but this is only one aspect in which improvement is needed. This Perspective addresses the further need to prevent the macromolecular particles from making contact with the air-water interface, something that can result in preferential orientation and even structural disruption of macromolecular particles. This unwanted contact can occur either as the result of free diffusion of particles during the interval between application, thinning and vitrification of the remaining buffer, or—when particles have been immobilized—by the film of buffer becoming too thin prior to vitrification. An opportunity now exists to apply theoretical and practical insights from the fields of thin-film physical chemistry and interfacial science, in an effort to bring cryo-EM sample preparation to a level of sophistication that is comparable to that of current data collection and analysis.

59 BASIC BIOLOGICAL SCIENCES↗

Investigating the Atmospheric Sources and Sinks of Perfluorooctanoic Acid Using a Global Chemistry Transport Model

Perfluorooctanoic acid, PFOA, is one of the many concerning pollutants in our atmosphere; it is highly resistant to environmental degradation processes, which enables it to accumulate biologically. With direct routes of this chemical to the environment decreasing, as a consequence of the industrial phase out of PFOA, it has become more important to accurately model the effects of indirect production routes, such as environmental degradation of precursors; e.g., fluorotelomer alcohols (FTOHs). The study reported here investigates the chemistry, physical loss and transport of PFOA and its precursors, FTOHs, throughout the troposphere using a 3D global chemical transport model, STOCHEM-CRI. Furthermore, this investigation includes an important loss process of PFOA in the atmosphere via the addition of the stabilised Criegee intermediates, hereby referred to as the “Criegee Field.” Whilst reaction with Criegee intermediates is a significant atmospheric loss process of PFOA, it does not result in its permanent removal from the atmosphere. Additionally, the atmospheric fate of the resultant hydroperoxide product from the reaction of PFOA and Criegee intermediates resulted in a ≈0.04 Gg year-1 increase in the production flux of PFOA. Furthermore, the physical loss of the hydroperoxide product from the atmosphere (i.e., deposition), whilst decreasing the atmospheric concentration, is also likely to result in the reformation of PFOA in environmental aqueous phases, such as clouds, precipitation, oceans and lakes. As such, removal facilitated by the “Criegee Field” is likely to simply result in the acceleration of PFOA transfer to the surface (with an expected decrease in PFOA atmospheric lifetime of ≈10 h, on average from ca. 80 h without Criegee loss to 70 h with Criegee loss).

54 ENVIRONMENTAL SCIENCES↗

SPACE SCIENCE-EARTH, SUN, AND STARS

Space science is science carried out in space. There is much that is exciting, but nothing mysterious about it. Space science calls upon physics, chemistry, astronomy, biosciences, and other scientific disciplines to attack some of the most important and challenging scientific problems of today. Among these problems are the investigation of the Earth and Sun, Moon and planets, stars and galaxies, and life in space from the vantage point provided by the orbiting satellite or the dep space probe.

Solar radiation↗

2-Oxazolidones.

Classification of 2-oxazolidones, examining preparation, physical chemistry, properties and polymerized derivatives

ORGANIC COMPOUND↗

Lubrication with solids.

Brief discussion of the historical background, variety range, chemistry, physics, and other properties of solid lubricants, and review of their current uses. The widespread use of solid lubricants did not occur until about 1947. At present, they are the object of such interest that a special international conference on their subject was held in 1971. They are used at temperatures beyond the useful range of conventional lubricating oils and greases. Their low volatility provides them with the capability of functioning effectively in vacuum and invites their use in space applications. Their high load carrying ability makes them useful with heavily loaded components. Solid lubricants, however, do lack some of the desirable properties of conventional lubricants. Unlike oils and greases, which have fluidity and can continuously be carried back into contact with lubricated surfaces, solid lubricants, because of their immobility, have finite lives. Also, oils and greases can carry away frictional heat from contacting surfaces, while solid lubricants cannot.

Buckley, D. H.↗

The supernova: A stellar spectacle

The life of a star, the supernova, related objects and their importance in astronomy and science in general are discussed. Written primarily for science teachers of secondary school chemistry, physics, and earth sciences, the booklet contains a glossary, reference sources, suggested topics for discussion, and projects for individual or group assignment.

Astronomy↗

Atoms in astronomy

Aspects of electromagnetic radiation and atomic physics needed for an understanding of astronomical applications are explored. Although intended primarily for teachers, this brochure is written so that it can be distributed to students if desired. The first section, Basic Topics, is suitable for a ninth-grade general science class; the style is simple and repetitive, and no mathematics or physics background is required. The second section, Intermediate and Advanced Topics, requires a knowledge of the material in the first section and assumes a generally higher level of achievement and motivation on the part of the student. These latter topics might fit well into junior-level physics, chemistry, or earth-science courses. Also included are a glossary, a list of references and teaching aids, class exercises, and a question and answer section.

Blanchard, P. A.↗