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DOE OSTI2020

Innovative high-temperature ammonium bifluoride fusion and rapid analysis of elements with nuclear forensic value

High-temperature ammonium bifluoride (ABF) fusions were evaluated for potential use in rapid dissolution of post-detonation nuclear debris. The ABF fusion was carried out in a Pt crucible which allowed evaluation of higher fusion and evaporation temperatures. The high-temperature ABF fusion dissolution method was evaluated using geological reference materials: USGS QLO-1a Quartz Latite, USGS SDC-1 Mica Schist, and NIST 278 Obsidian Rock. The optimized dissolution method involved a 10 min fusion at 540 °C, a 5 min reflux in 8 M HNO 3 , an evaporation at 300 °C and final dilution into 45 mL of 2% (v/v) HNO3. The final solution was filtered after heating at 105 °C using a hotblock. This dissolution method was simple, requiring only a hotplate or hotblock, filtered samples were available for ICP-MS analysis or radiochemical separation within 150 min, and was found to have high (>90%) recovery for many isotopes of interest in nuclear forensics applications. U and Pu in the dissolved material was separated using TEVA and UTEVA extraction chromatography columns, a process which resulted in >90% recovery. An irradiated U tracer was spiked into the material prior to dissolution and analyzed for recovery of major fission products and 239Np. The monitored radionuclides had recoveries of greater than 90%, except for the volatile radioiodine isotopes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Phenolics lie at the centre of functional versatility in the responses of two phytochemically diverse tropical trees to canopy thinning

Saplings in the shade of the tropical understorey face the challenge of acquiring sufficient carbon for growth as well as defence against intense pest pressure. A minor increase in light availability via canopy thinning may allow for increased investment in chemical defence against pests, but it may also necessitate additional biochemical investment to prevent light-induced oxidative stress. The shifts in secondary metabolite composition that increased sun exposure may precipitate in such tree species present an ideal milieu for evaluating the potential of a single suite of phenolic secondary metabolites to be used in mitigating both abiotic and biotic stressors. To conduct such an evaluation, we exposed saplings of two unrelated species to a range of light environments and compared changes in their foliar secondary metabolome alongside corresponding changes in the abiotic and biotic activity of their secondary metabolite suites. Among the numerous classes of secondary metabolites found in both species, phenolics accounted for the majority of increases in antioxidant and UV-absorbing properties as well as activity against an invertebrate herbivore and a fungal pathogen. Our results support the hypothesis that phenolics contribute to the capacity of plants to resist co-occurring abiotic and biotic stressors in resource-limited conditions.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

A PROVEN APPROACH FOR EFFECTIVE COMPUTER SECURITY SELF-ASSESSMENTS AT NUCLEAR FACILITIES

A proven method for conducting cybersecurity self-assessments at nuclear power plants is now available for international use. This method was originally developed by Pacific Northwest National Laboratory, under the sponsorship of the U.S. Nuclear Regulatory Commission (NRC), for use at U.S. nuclear power plants. The “Method,” described in NUREG/CR-6847 “Cyber Security Self-Assessment Method for U.S. Nuclear Power Plants,” was originally a limited release document that was withheld from public disclosure but is now publicly available. The Method provides a systematic, phased, and risk-informed approach to help decision makers and security specialists understand their relative cybersecurity posture. Completed Method assessments may be used to support or validate selection of computer security controls to mitigate cyber threats as well as demonstrate compliance with regulations or statutes enacted by competent authorities. The Method assesses the cybersecurity posture of key systems at a nuclear facility with a focus on protection of design base functions. It considers both physical and digital elements of system vulnerabilities and the resulting potential consequences from exploitation. It is well-suited for addressing blended cyberattacks. A semi-quantitative analytical approach is used in the evaluation of potential vulnerabilities, consequences, and risks and provides a technical basis for the selection of security controls to mitigate cyberattacks. The Method’s application at U.S. nuclear power plants has been very encouraging. The only nuclear plant in the United States that did not have adverse findings during its initial NRC computer security inspection prepared for inspection through the diligent application of this self-assessment method and the implementation of recommendations that came out of that self-assessment. Nuclear facilities around the world might find application of the Method extremely helpful for making cost-effective, risk-based decisions regarding computer security and for preparing to pass computer security inspections by their competent authorities.

Cyber security, Nuclear security, Self-assessment↗

NASA NTRS1982

Potential Applications of LANDSAT Data in Energy Management Associated with Kenya's Forests

LANDSAT can be effectively used to monitor the extent and magnitude of forest cover change in Kenya in order to evaluate the potential for energy supply. Digital processing of LANDSAT data provides a reliable monitoring technique for forest resource management in Kenya. Data analysis was used to illustrate that Kenya's forests are indeed diminishing. A model used to make projections for the availability of fuelwood as an energy source is presented. The resulting figures imply that Kenya's forest will all but disappear around the end of the 20th century. Analysis of LANDSAT data for Mau East substantiates these alarming findings.

Maghenda, M. M.↗

DOE OSTI2016

Potential hydrothermal resource temperatures in the Eastern Snake River Plain, Idaho

The Eastern Snake River Plain (ESRP) in southern Idaho is a region of high heat flow. Sustained volcanic activities in the wake of the passage of the Yellowstone Hotspot have turned this region into an area with great potential for geothermal resources as evidenced by numerous hot springs scattered along the margins of the plain and several hot-water producing wells and hot springs within the plain. Despite these thermal expressions, it is hypothesized that the pervasive presence of an overlying groundwater aquifer in the region effectively masks thermal signatures of deep-seated geothermal resources. The dilution of deeper thermal water and re-equilibration at lower temperature are significant challenges for the evaluation of potential resource areas in the ESRP. Over the past several years, we collected approximately 100 water samples from springs/wells for chemical analysis as well as assembled existing water chemistry data from literature. We applied several geothermometric and geochemical modeling tools to these chemical compositions of ESRP water samples. Geothermometric calculations based on principles of multicomponent equilibrium geothermometry with inverse geochemical modeling capability (e.g., Reservoir Temperature Estimator, RTEst) have been useful for the evaluation of reservoir temperatures. RTEst geothermometric calculations of ESRP thermal water samples indicated numerous potential geothermal areas with elevated reservoir temperatures. Specifically, areas around southern/southwestern side of the Bennett Hills and within the Camas Prairies in the western-northwestern regions of the ESRP and its margins suggest temperatures in the range of 140-200°C. In the northeastern portions of the ESRP, Lidy Hot Springs, Ashton, Newdale, and areas east of Idaho Falls have expected reservoir temperature =140 °C. In the southern ERSP, areas near Buhl and Twin Falls are found to have elevated temperatures as high as 160 °C. These areas are likely to host potentially economic geothermal resources; however, further detailed study is warranted to each site to evaluate hydrothermal suitability for economic use.

Eastern Snake River Plain, ESRP, RTEst, geothermal↗

DOE OSTI2022

Development of Surface Sampling Techniques for the Canister Deposition Field Demonstration (FY22 Update)

This report describes the proposed surface sampling techniques and plan for the multi-year Canister Deposition Field Demonstration (CDFD). The CDFD is primarily a dust deposition test that will use three commercial 32PTH2 NUHOMS welded stainless steel storage canisters in Advanced Horizontal Storage Modules, with planned exposure testing for up to 10 years at an operating ISFSI site. One canister will be left at ambient condition, unheated; the other two will have heaters to achieve canister surface temperatures that match, to the degree possible, spent nuclear fuel (SNF) loaded canisters with heat loads of 10 kW and 40 kW. Surface sampling campaigns for dust analysis will take place on a yearly or bi-yearly basis. The goal of the planned dust sampling and analysis is to determine important environmental parameters that impact the potential occurrence of stress corrosion cracking on SNF dry storage canisters. Specifically, measured dust deposition rates and deposited particle sizes will improve parameterization of dust deposition models employed to predict the potential occurrence and timing of stress corrosion cracks on the stainless steel SNF canisters. The size, morphology, and composition of the deposited dust and salt particles will be quantified, as well as the soluble salt load per unit area and the rate of deposition, as a function of canister surface temperature, location, time, and orientation. Previously, a preliminary sampling plan was developed, identifying possible sampling locations on the canister surfaces and sampling intervals; possible sampling methods were also described. Further development of the sampling plan has commenced through three different tasks. First, canister surface roughness, a potentially important parameter for air flow and dust deposition, was characterized at several locations on one of the test canisters. Second, corrosion testing to evaluate the potential lifetime and aging of thermocouple wires, spot welds, and attachments was initiated. Third, hand sampling protocols were developed, and initial testing was carried out. The results of those efforts are presented in this report. The information obtained from the CDFD will be critical for ongoing efforts to develop a detailed understanding of the potential for stress corrosion cracking of SNF dry storage canisters.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1988

Atomic forces between noble gas atoms, alkali ions, and halogen ions for surface interactions

The components of the physical forces between noble gas atoms, alkali ions, and halogen ions are analyzed and a data base developed from analysis of the two-body potential data, the alkali-halide molecular data, and the noble gas crystal and salt crystal data. A satisfactory global fit to this molecular and crystal data is then reproduced by the model to within several percent. Surface potentials are evaluated for noble gas atoms on noble gas surfaces and salt crystal surfaces with surface tension neglected. Within this context, the noble gas surface potentials on noble gas and salt crystals are considered to be accurate to within several percent.

Wilson, J. W.↗

NASA NTRS2021

Development and Analysis of a Thick Cloud Layers Database for Lightning Launch Commit Criteria Improvement

Lightning can pose a potential threat to space launch vehicles. In response to this, rules were created called the Lightning Launch Commit Criteria (LLCC) that help weather personnel evaluate the potential for natural and rocket-triggered lightning. One of the ten LLCC with the least research is called the Thick Cloud Layers rule. To further understand electrification of thick cloud layers and potentially improve the Thick Cloud Layers rule, a database of thick cloud layers that occurred over the Eastern Range was created. This database is then used to create an algorithm for identifying and differentiating thick cloud layers from other cloud types based on radar characteristics, temperature levels in reference to cloud height, and the surface electric field. By analyzing and identifying thick cloud events, this project could help narrow down when thick clouds are occurring and potentially minimize unnecessary launch delays. Events that caused LLCC violations involving the Thick Cloud Layers rule were analyzed by hand using Level-2 NEXRAD radar data from the National Weather Service WSR-88D radar in Melbourne with the program GR2Analyst. Cases that were found to be isolated and not involved with convection were recorded (date, start/end time, location) in a database. Radar data associated with these cases was collected and gridded using Python radar packages. Once gridded, I calculated and recorded for each radar scan the following radar reflectivity driven parameters within an 11x11 km bin centered on each 1 square km grid point: the mean reflectivity colder than 0 degrees Celsius, Maximum Radar Reflectivity (MRR) colder than 0 degrees Celsius, Volume Averaged Height Integrated Radar Reflectivity (VAHIRR), Hydrometeor Identification (HID), the difference between the maximum and mean reflectivity, the cloud depth colder than 0 degrees Celsius, the overall cloud depth, the cloud top, and the cloud bottom. Soundings for each event were used to determine cloud temperature levels, and where the cloud is in relation to the freezing level. Electric field mill data collected over the Eastern Range was used to determine surface electric fields below each cloud. All parameters were analyzed in depth for several thick cloud cases to gain an understanding of typical thick cloud characteristics. Cases of thick clouds and other isolated cloud types were also recorded for training purposes to see if enough differences exist between cloud types to differentiate them with an algorithm. Each case along with its corresponding characteristics was recorded in a database, and this database was used to compare differing cloud types, as well as train the algorithm to detect thick clouds.

Lightning↗

DOE OSTI2018

Co-Optimization of Fuels & Engines: Efficiency Merit Function for Spark-Ignition Engines; Revisions and Improvements Based on FY16-17 Research

Early in fiscal year 2016 (FY16), a fuel efficiency 'merit function' was developed to provide a simple tool to evaluate the potential thermal efficiency benefits of various fuels when multiple fuel properties or performance metrics are changing simultaneously. It has also proven to be useful for evaluating various fuel candidates and provides a useful framework for capturing and summarizing results from multiple projects within the Co-Optima Fuel Properties and Advanced Engine Development research portfolios. The objective of this report is to collect pertinent research results from FY16 and the first half of FY17, and to integrate them into an improved merit function.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2020

COVID-19 biomarkers based on respiratory microbiome content

COVID-19 patient care management would greatly benefit from new tools that enable accurate assessment of disease severity and stage, potentially enabling a personalized medicine approach. Detection of the SARS-CoV-2 virus itself, or even quantitation of viral loads, is not sufficient for accurate assessment of disease state beyond diagnosis of infection [eg, doi:10.1093/cid/ciaa344]. Levels of usual suspect protein biomarkers associated with host response to infection [eg, C-reactive protein (CRP); cytokines like IL-6, TNF-alpha, and IL-10; complement proteins like C3a and C5a], and of individual blood cell types (eg, leukocytes, lymphocytes, and subsets thereof), show limited correlation with disease severity and stage, with high patient-to-patient and study-to-study variability [eg, doi:10.1093/cid/ciaa248]. High-dimensional panels of biomarkers should have greater predictive power and resilience to unavoidable sources of variability; however, their assembly from proteins and cell types is extremely difficult, due to technical limitations in analyte measurement, especially with regard to starting material requirements and detection sensitivity. Host response profiling through Next Generation Sequencing (NGS) of gene expression patterns (ie, RNA-Seq) is a promising approach, but at the time of this project there were only two publicly available datasets of relevance [doi:10.1093/cid/ciaa203, doi:10.1080/22221751.2020.1747363], and close inspection of them revealed that each had at least one major flaw that severely undermined its value in supporting robust analysis of host response to SARS-CoV- 2 infection. However, the first of these studies [doi:10.1093/cid/ciaa203] fortuitously collected NGS data not only from host cells, but also from bacteria present in bronchoalveolar lavage fluid (BALF) recovered from COVID-19 patients; and because the respiratory microbiome (in terms of bacterial species content) is far less complex than the human transcriptome, the NGS data collected were sufficient to provide coverage depth supporting robust analysis. Surprisingly, the authors of the study did not carry out a detailed analysis of these data and their potential for revealing important new information about COVID-19. Therefore, we carried out a meta-analysis of the dataset as a first step in evaluating the potential for profiling of respiratory microbiome dynamics as a means of accurately assessing COVID-19 disease state.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Port of New York and New Jersey Drayage Electrification Analysis

The National Renewable Energy Laboratory (NREL) evaluated the potential for drayage electrification in the Port of New York and New Jersey (PoNYNJ), with a focus on operators: Harbor Freight Transport (HF), Safeway Trucking (SWT), and International Motor Freight Inc (IMF). This report summarizes the data collection and electrification evaluation of all three drayage operators, includes detailed operational data, and identifies the performance requirements for battery electric tractors (BETs) and corresponding infrastructure operated within the context of PoNYNJ drayage operation. This report also details a methodology to evaluate opportunities, strategies, and challenges associated with future expansions of BETs in meeting PANYNJ emissions goals. The Port Authority has established a goal of achieving Net Zero carbon emissions by 2050 across all facilities, including from tenant and stakeholder sources such as drayage trucks. NREL used real-world performance data collected on the three PoNYNJ drayage operations, along with modeling and analysis tools to compare BET to diesel trucks. From March to July 2021, NREL collected 1Hz vehicle and engine data from 46 drayage trucks at the three operators totaling nearly 121,000 miles of operation, providing enough information to assess vehicle operations for electrification potential. A Future Automotive Systems Technology Simulator (FASTSim) electric truck powertrain model was validated using PoNYNJ data and scenarios were run to evaluate drayage truck electrification requirements over the real-world cycles. The first scenario examined BET viability with minimal changes to existing operations. This assumes the trucks charge when stopped for two hours or longer, have a functional battery size of 375 kWh, and can charge at 270 kilowatts (kW) average which are the specification of the commercially available Freightliner eCascadia. The second scenario looked at what operational, charging infrastructure, and BET technology changes would be needed to fully electrify. Finally, detailed analysis was run on charging rate structure to understand operational costs to the fleets. The studied drayage trucks averaged 5.1 MPG, spent roughly 9% of their energy at idle, and drove an average of 140 miles per day with a maximum daily distance of 573 miles. The FASTSim model results indicate a comparable BET would use 417 kWh of energy per day on average accounting for cargo weight, which is close to the full usable capacity of the eCascadia currently available on the market. Based on the daily average operating data, partial fleet electrification is possible with current technology. However, some specific days of operation would require over 1,600 kWh of energy due to longer distances traveled by the trucks and more intense operation. Trucks used for long distance and intense operation cannot be readily electrified with current technology without operational changes. Full adoption of BETs could reduce CO 2 emissions from these fleets by roughly 75% today, eliminating 76 metric tons of CO 2 (MTCO 2 ) per vehicle each year, which equates to 24,100 MTCO 2 per year for all three operators. Commercially available direct current fast chargers (DCFC) have charge rates up to 350 kW. Based on the average daily modeled energy use for each operator, current industrial rate structures, and the assumption of 350 kW peak charging, full drayage electrification would increase electricity consumption. In addition, peak demand usage would increase with unmanaged charging along with cost of electricity having a direct impact on cost per mile for electric vehicles. The resulting cost per mile for BETs along with comparable cost per mile for conventional diesel trucks are also examined at $\$$4.00 per gallon of diesel. It will be important for PANYNJ and the drayage operators within the PoNYNJ to consider these load impacts to their existing electrical infrastructure and devise operational strategies that avoid coincident charging of vehicles to mitigate demand charges. Despite these electricity cost increases, savings from reductions in diesel consumption will help offset the costs of this increased electricity consumption. However, prices of both electricity and diesel are subject to change based on various factors meaning the realized savings will vary over time. This shows BETs could be cost-competitive on an energy cost per mile basis for all scenarios while diesel is above $\$$3.00/gal. Further, if diesel prices dropped to the 15-year low of $2.33/gal, it would still be cost competitive to operate the EVs with electricity costs of 16.3 ¢/kWh or less.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS2013

Active Matrix OLED Test Report

This report focuses on the limited environmental testing of the AMOLED display performed as an engineering evaluation by The NASA Johnson Space Center (JSC)-specifically. EMI. Thermal Vac, and radiation tests. The AMOLED display is an active-matrix Organic Light Emitting Diode (OLED) technology. The testing provided an initial understanding of the technology and its suitability for space applications. Relative to light emitting diode (LED) displays or liquid crystal displays (LCDs), AMOLED displays provide a superior viewing experience even though they are much lighter and smaller, produce higher contrast ratio and richer colors, and require less power to operate than LCDs. However, AMOLED technology has not been demonstrated in a space environment. Therefore, some risks with the technology must be addressed before they can be seriously considered for human spaceflight. The environmental tests provided preliminary performance data on the ability of the display technology to handle some of the simulated induced space/spacecraft environments that an AMOLED display will see during a spacecraft certification test program. This engineering evaluation is part of a Space Act Agreement (SM) between The NASA/JSC and Honeywell International (HI) as a collaborative effort to evaluate the potential use of AMOLED technology for future human spaceflight missions- both government-led and commercial. Under this SM, HI is responsible for doing optical performance evaluation, as well as temperature and touch screen studies. The NASA/JSC is responsible for performing environmental testing comprised of EMI, Thermal Vac, and radiation tests. Additionally, as part of the testing, limited optical data was acquired to assess performance as the display was subjected to the induced environments. The NASA will benefit from this engineering evaluation by understanding AMOLED suitability for future use in space as well as becoming a smarter buyer (or developer) of the technology. HI benefits from the environmental testing results by understanding its performance limitations/shortcomings to improve subsequent generations of AMOLED technology. Note that the AMOLED used in this test was not deSigned for the space environment but rather for commercial/industrial terrestrial applications.

Salazar, George↗

NASA NTRS2013

Active Matrix Organic Light Emitting Diode (AMOLED) Environmental Test Report

Salazar, George A.↗

NASA NTRS2018

A Summary of Results from Two Full-Scale Fokker F28 Fuselage Section Drop Tests

During 2017, two vertical drop tests were conducted on two partial sections removed from a Fokker F28 MK4000 aircraft as a part of a joint NASA / Federal Aviation Administration (FAA) effort to investigate the crashworthiness characteristics of Transport Category Aircraft, as defined by 14 Code of Federal Regulations, Part 25. The first test was a pure vertical drop test of a relatively uniform forward section, which included an underfloor area for luggage. The second test was a canted drop test onto a sloped surface of a portion of the fuselage representing the wingbox stiffened structure. In both tests, accelerometers were installed on the floor, seat track, luggage, and overhead bin to measure responses in the two airframe sections. In addition, ten Anthropomorphic Test Devices (ATDs, a.k.a. crash test dummies) were included in each test to measure the potential of onboard occupant injury. Self-contained data recorders, logging accelerations and rotational rates, were also used on the seat tracks and lower structure for evaluation as potential crash recording devices in future tests. Finally, the starboard side of each section was painted with a stochastic black and white speckle pattern for use in full field photogrammetric imaging techniques. The results collected show notable differences in the Forward and Wingbox Section responses. The Forward Section floor accelerations showed a relatively uniform response of approximately 7 g throughout the impact event. This section exhibited large amounts of subfloor crushing, floor stiffener failures and seat deformation upon impact. These results are contrasted by the Wingbox Section accelerations, which showed large differences when comparing accelerations recorded from either the rear or the front portion of the section reaching peaks of 39 g in some locations. Additionally, the Wingbox Section test induced a forward motion caused from the rotation at impact. With the exception of the lower cavity, there was minimal deformation in the Wingbox Section, and ATD responses were consistently higher than those for the Forward Section. A complete set of results are presented for the airframe, seat, ATD, overhead bin, and subfloor regions for each section. The ATD results are compared to current injury criteria, and determinations will be made on the likelihood of injury. Additional results for cargo-hold stored luggage are presented in an attempt to provide a component-level characterization for better understanding of under-floor loading. Finally, a discussion of the relevance of the results for a proposed airframe level crashworthiness guideline are presented.

Littell, Justin D.↗

DOE OSTI2019

Identifying the Technical Basis for Technical Impracticability Waivers for Recalcitrant Radionuclides at Department of Energy Sites - 19055

Injection wells are currently used to hydraulically contain the leading edge of a radioactive iodine-129 ({sup 129}I) groundwater plume that underlies the Hanford Site's 200-UP-1 Operable Unit within the Central Plateau. Hydraulic containment has been implemented because to date, no viable treatment technologies have been identified that can achieve the federal drinking water standard of 1 pCi/L. The large spatial extent of the {sup 129}I plume limits the practical implementation of readily available remedy options, and the presence of large amounts of natural stable {sup 127}I as well as multiple iodine species (iodate, iodide, and organic-iodine complexes) in the groundwater present challenges for remedy performance. As evaluations of potential remediation technologies proceed, risk-informed remediation endpoints and alternatives- such as applicable or relevant and appropriate requirements technical impracticability (TI) waivers-are being evaluated as specified in the interim Record of Decision. A TI waiver may be necessary for {sup 129}I at 200-UP-1 to achieve a plume condition that is still protective of human health and the environment. Nearly 100 TI waivers have been granted at sites across the U.S.; however, a TI waiver has not yet been granted for a radionuclide nor has one been granted for a U.S. Department of Energy (DOE)-managed site. This situation underscores the importance of developing a methodology for risk-based decision-making for iodine and other contaminants of concern at DOE sites. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1985

Design overview of fiber-reinforced superalloy composites for the Space Shuttle main engine

This preliminary design study evaluated the potential of fiber-reinforced superalloys (FRS) for hot-section components of Space Shuttle Main Engine turbopumps. Emphasis was placed on uncooled turbine blades, with a more limited evaluation of FRS turbine stator vanes. The study included FRS properties evaluation, current structural design capability, and preliminary design and structural analysis. In addition, key technology needs were identified, and a plan was generated to develop operational hardware for advanced versions of the SSME. Based on projections of design properties for FRS composites comprising 50 volume percent of W-4Re-0.38Hf-0.02C wire filaments in a ductile superalloy matrix, it was concluded that FRS turbine blades offer the potential of significant improved operating life and higher temperature capability over the MAR-M-246(Hf) (DS) blades currently used in the SSME.

Lewis, J. R.↗

NASA NTRS1986

Analysis of the physical atomic forces between noble gas atoms, alkali ions and halogen ions

The physical forces between atoms and molecules are important in a number of processes of practical importance, including line broadening in radiative processes, gas and crystal properties, adhesion, and thin films. The components of the physical forces between noble gas atoms, alkali ions, and halogen ions are analyzed and a data base for the dispersion forces is developed from the literature based on evaluations with the harmonic oscillator dispersion model for higher order coefficients. The Zener model of the repulsive core is used in the context of the recent asymptotic wave functions of Handler and Smith; and an effective ionization potential within the Handler and Smith wave functions is defined to analyze the two body potential data of Waldman and Gordon, the alkali-halide molecular data, and the noble gas crystal and salt crystal data. A satisfactory global fit to this molecular and crystal data is then reproduced by the model to within several percent. Surface potentials are evaluated for noble gas atoms on noble gas and salt crystal surfaces with surface tension neglected. Within this context, the noble gas surface potentials on noble gas and salt crystals are considered to be accurate to within several percent.

Wilson, J. W.↗

NASA NTRS2011

Cross-Polar Aircraft Trajectory Optimization and the Potential Climate Impact

Cross-Polar routes offer new opportunities for air travel markets. Transpolar flights reduce travel times, fuel burns, and associated environmental emissions by flying direct paths between many North American and Asian cities. This study evaluates the potential benefits of flying wind-optimal polar routes and assessed their potential impact on climate change. An optimization algorithm is developed for transpolar flights to generate wind-optimal trajectories that minimize climate impact of aircraft, in terms of global warming potentials (relative to warming by one kg of CO2) of several types of emissions, while avoiding regions of airspace that facilitate persistent contrail formation. Estimations of global warming potential are incorporated into the objective function of the optimization algorithm to assess the climate impact of aircraft emissions discharged at a given location and altitude. The regions of airspace with very low ambient temperature and areas favorable to persistent contrail formation are modeled as undesirable regions that aircraft should avoid and are formulated as soft state constraints. The fuel burn and climate impact of cross-polar air traffic flying various types of trajectory including flight plan, great circle, wind-optimal, and contrail-avoidance are computed for 15 origin-destination pairs between major international airports in the U.S. and Asia. Wind-optimal routes reduce average fuel burn of flight plan routes by 4.4% on December 4, 2010 and 8.0% on August 7, 2010, respectively. The tradeoff between persistent contrail formation and additional global warming potential of aircraft emissions is investigated with and without altitude optimization. Without altitude optimization, the reduction in contrail travel times is gradual with increase in total fuel consumption. When altitude is optimized, a one percent increase in additional global warming potential, a climate impact equivalent to that of 4070kg and 4220kg CO2 emission, reduces 135 and 105 minutes persistent contrail formation per flight during a day with medium and high contrail formation, respectively.

Ng, Hok K.↗