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At least 451 records · Page 25

Selection of Alternator Voltage for Dynamic Radioisotope Power Systems

In this paper, we present a study to select an appropriate alternator voltage of the free-piston Stirling convertors (FPSC) for efficient and light Dynamic Radioisotope Power Systems (DRPS). With a system thermal-to-electrical efficiency 3-4 times greater than radioisotope thermoelectric generator (RTG) systems and a higher power density than Brayton systems in the power range of interest for radioisotope-powered systems, Stirling-based DRPS is uniquely suited to benefit upcoming NASA missions. Much effort has been invested in the design and optimization of the thermal, mechanical, and materials aspects of FPSCs, but the electrical aspect has been more nebulous. Therefore, in this paper, a preliminary study will be presented to select the appropriate Stirling alternator voltage to develop a light and efficient system using available flight components. Power conversion systems face a trade between efficiency and system volume/mass with the optimal trade being determined by the application. Neglecting non-idealities related to insulation thickness and winding packing factor and assuming a constant winding area, alternator efficiency is independent of alternator voltage. Because wire size and alternator current can be traded against turn count and alternator voltage without impacting efficiency, the guidance on the optimal design comes from analysis of the controller power electronics and the remainder of the system. Properties of available flight-qualified electrical components, such as rated voltage/current and on-resistance, typically come in discrete values instead of a continuous range of values. With multiple components being required to form the power conversion stage of the controller, each limited to incremental values, a continuous optimization is of little benefit. Instead of a continuous optimization, a random process using properties of the available components can be used to develop a Pareto design front indicating the optimized trade space. The most advantageous trade between system efficiency and mass for the system at hand can then be selected from the range of feasible designs. In the final paper, the design process, assumptions, and preliminary results will be presented.

Free-Piston Stirling Convertor Controller, Dynamic↗

Machine learning models for maintenance cost estimation in delivery trucks using diesel and natural gas fuels

The maintenance costs can represent about 15%–60% of the cost of produced goods depending on the type of goods transported. To comply with stringent emissions regulations, diesel engines are incorporated with complex after-treatment systems that demand increased maintenance. The availability of alternative fuels such as natural gas and propane has fostered the natural gas and propane powertrain systems as well as electrification options for heavy- and medium-duty vehicles. A critical barrier to adopting alternative fuel vehicles has been the lack of knowledge on comparative vehicle maintenance/repair costs with conventional diesel. Moreover, the region of operation, the type of vehicle operation, and seasonal temperature changes also affect the duty cycle which impacts the maintenance and repair costs. This study focuses on estimating the cost-per-mile for heavy-duty vehicles using machine learning models such as random forest, xgboost, neural networks, and a super-learner model. The super-learner model achieved an error as low as 0.0068 $/mile for mean absolute error and 0.0086 $/mile for root mean square error with a coefficient of determination/R-Squared of 97.28%. Specifically, the paper investigates the data collected from the maintenance and repair costs associated with delivery trucks using diesel and natural gas fuels. Since the availability of data is the major constraint, we leveraged the data collected by West Virginia University and the partnership with fleet companies. This allows for additional information related to maintenance costs and fleet-specific maintenance practices of alternative fuel vehicles. This study promotes clean fuel technologies and enables fleet management companies to adopt alternative fuel vehicles in case of similar or lower cost of maintenance compared to diesel vehicles resulting in reduced emissions and total cost of ownership.

Katreddi, Sasanka↗

Separability of the Klein-Gordon equation for rotating spacetimes obtained from Newman-Janis algorithm

In the literature, the Newman-Janis algorithm (NJA) has been widely used to construct stationary and axisymmetric spacetimes to describe rotating black holes. In addition, it has been recently shown that the general stationary and axisymmetric spacetime generated through NJA allows the complete separability of the null geodesic equations. In fact, the Hamilton-Jacobi equation in this spacetime is also separable if one of the metric functions is additively separable. In this work, we further study the conditions for a separable Klein-Gordon equation in such a general spacetime. Here, the relations between the NJA spacetime and other parametrized axially symmetric spacetimes in the literature are also discussed.

79 ASTRONOMY AND ASTROPHYSICS↗

Extended performance solar electric propulsion thrust system study. Volume 3: Tradeoff studies of alternate thrust system configurations

Several thrust system design concepts were evaluated and compared using the specifications of the most advanced 30 cm engineering model thruster as the technology base. Emphasis was placed on relatively high power missions. The extensions in thruster performance required for the Halley's comet mission were defined and alternative thrust system concepts were designed in sufficient detail for comparing mass, efficiency, reliability, structure, and thermal characteristics. Confirmation testing and analysis of thruster and power-processing components were performed. A baseline design was selected from the alternatives considered, and the design analysis and documentation were refined. A program development plan was formulated that outlines the work structure considered necessary for developing, qualifying, and fabricating the flight hardware for the baseline thrust system within the time frame of a project to rendezvous with Halley's comet. An assessment was made of the costs and risks associated with a baseline thrust system as provided to the mission project under this plan. Critical procurements and interfaces were identified and defined.

Hawthorne, E. I.↗

Use of Soft Computing Technologies for a Qualitative and Reliable Engine Control System for Propulsion Systems

The problem to be addressed in this paper is to explore how the use of Soft Computing Technologies (SCT) could be employed to improve overall vehicle system safety, reliability, and rocket engine performance by development of a qualitative and reliable engine control system (QRECS). Specifically, this will be addressed by enhancing rocket engine control using SCT, innovative data mining tools, and sound software engineering practices used in Marshall's Flight Software Group (FSG). The principle goals for addressing the issue of quality are to improve software management, software development time, software maintenance, processor execution, fault tolerance and mitigation, and nonlinear control in power level transitions. The intent is not to discuss any shortcomings of existing engine control methodologies, but to provide alternative design choices for control, implementation, performance, and sustaining engineering, all relative to addressing the issue of reliability. The approaches outlined in this paper will require knowledge in the fields of rocket engine propulsion (system level), software engineering for embedded flight software systems, and soft computing technologies (i.e., neural networks, fuzzy logic, data mining, and Bayesian belief networks); some of which are briefed in this paper. For this effort, the targeted demonstration rocket engine testbed is the MC-1 engine (formerly FASTRAC) which is simulated with hardware and software in the Marshall Avionics & Software Testbed (MAST) laboratory that currently resides at NASA's Marshall Space Flight Center, building 4476, and is managed by the Avionics Department. A brief plan of action for design, development, implementation, and testing a Phase One effort for QRECS is given, along with expected results. Phase One will focus on development of a Smart Start Engine Module and a Mainstage Engine Module for proper engine start and mainstage engine operations. The overall intent is to demonstrate that by employing soft computing technologies, the quality and reliability of the overall scheme to engine controller development is further improved and vehicle safety is further insured. The final product that this paper proposes is an approach to development of an alternative low cost engine controller that would be capable of performing in unique vision spacecraft vehicles requiring low cost advanced avionics architectures for autonomous operations from engine pre-start to engine shutdown.

Trevino, Luis↗

Relative effectiveness of HZE iron-56 particles for the induction of cytogenetic damage in vivo

One of the risks of prolonged manned space flight is the exposure of astronauts to radiation from galactic cosmic rays, which contain heavy ions such as (56)Fe. To study the effects of such exposures, experiments were conducted at the Brookhaven National Laboratory by exposing Wistar rats to high-mass, high-Z, high-energy (HZE) particles using the Alternating Gradient Synchrotron (AGS). The biological effectiveness of (56)Fe ions (1000 MeV/nucleon) relative to low-LET gamma rays and high-LET alpha particles for the induction of chromosome damage and micronuclei was determined. The mitotic index and the frequency of chromosome aberrations were evaluated in bone marrow cells, and the frequency of micronuclei was measured in cells isolated from the trachea and the deep lung. A marked delay in the entry of cells into mitosis was induced in the bone marrow cells that decreased as a function of time after the exposure. The frequencies of chromatid aberrations and micronuclei increased as linear functions of dose. The frequency of chromosome aberrations induced by HZE particles was about 3.2 times higher than that observed after exposure to (60)Co gamma rays. The frequency of micronuclei in rat lung fibroblasts, lung epithelial cells, and tracheal epithelial cells increased linearly, with slopes of 7 x 10(-4), 12 x 10(-4), and 11 x 10(-4) micronuclei/binucleated cell cGy(-1), respectively. When genetic damage induced by radiation from (56)Fe ions was compared to that from exposure to (60)Co gamma rays, (56)Fe-ion radiation was between 0.9 and 3.3 times more effective than (60)Co gamma rays. However, the HZE-particle exposures were only 10-20% as effective as radon in producing micronuclei in either deep lung or tracheal epithelial cells. Using microdosimetric techniques, we estimated that 32 cells were hit by delta rays for each cell that was traversed by the primary HZE (56)Fe particle. These calculations and the observed low relative effectiveness of the exposure to HZE particles suggest that at least part of the cytogenetic damage measured was caused by the delta rays. Much of the energy deposited by the primary HZE particles may result in cell killing and may therefore be "wasted" as far as production of detectable micronuclei is concerned. The role of wasted energy in studies of cancer induction may be important in risk estimates for exposure to HZE particles.

Non-NASA Center↗

Phase diagram of a bilayer superconductor under an in-plane magnetic field

We study a double layer superconductor in the presence of a parallel magnetic field Bby obtaining self-consistent solutions of the Bogoliubov-de Gennes equations, and also using the Pakrovsky- Talapov model for the free energy expressed in terms of the relative phase, namely the difference in the phases of the superconducting order parameters in the two layers. We find that with increasing B, a continuous transition occurs from the Bardeen-Cooper-Schrieffer (BCS) state, where the relative phase is constant, into a state which contains stripes of the BCS state separated by localized vortices in the relative phase. This state is predicted to manifest through oscillations in the amplitude of the superconducting gap and an alternating pattern of supercurrents. With increasing B, the BCS stripe state continuously evolves into the Fulde-Ferrell-Larkin-Ovchinnikov state with linearly varying relative phase and a constant gap amplitude. Furthermore, these predictions apply to superconductivity in bilayer transition-metal-dichalcogenide systems with Ising spin-orbit coupling, and ought to be testable in a recently studied experimental system.

2-dimensional systems↗

Spray combustion modeling

Concern over the future availability of high quality liquid fuels or use in furnaces and boilers prompted the U. S. Department of Energy (DOE) to consider alternate fuels as replacements for the high grade liquid fuels used in the 1970's and 1980's. Alternate fuels were defined to be combinations of a large percentage of viscous, low volatility fuels resulting from the low end of distillation mixed with a small percentage of relatively low viscosity, high volatility fuels yielded by the high end of distillation. The addition of high volatility fuels was meant to promote desirable characteristics to a fuel that would otherwise be difficult to atomize and burn and whose combustion would yield a high amount of pollutants. Several questions thus needed to be answered before alternate fuels became commercially viable. These questions were related to fuel atomization, evaporation, ignition, combustion and pollutant formation. This final report describes the results of the most significant studies on ignition and combustion of alternative fuels.

Combustion↗

Stakeholder-Engaged Structured Decision Making for the Los Alamos Legacy Cleanup Mission - 20501

The Los Alamos National Laboratory (LANL) environmental legacy cleanup program requires decisions to be made for environmental remediation, decommissioning and disposal or management of radioactive waste. This legacy cleanup program was established to address groundwater contamination, material disposal areas (MDAs) that have been used to dispose of radioactive and other waste material, and 'aggregate areas' that might produce radioactive or other chemical waste as a result of remediation activities. The LANL site is regulated for environmental concerns under the Resource Conservation and Recovery Act (RCRA). However, some parts of LANL, such as material disposal area G (MDA G), have disposed of radioactive waste under DOE Order 435.1, and are subject to other regulations. For example, decommissioning the remote-handled TRU material stored in 33 shafts at MDA G falls under EPA's 40 CFR 191. Collectively, the regulations are all aimed in the same direction of finding the best solution, either through constructs such as 'as low as reasonably achievable' (ALARA), considering balancing factors as opposed to only cost and human health risk, and, under EPA regulations such as RCRA and NEPA, evaluating impact from all chemicals and both human health and ecological endpoints. Despite the basic goals and objectives of the regulations or their guidance, the main challenge is in their implementation. Arguably perhaps, but really in principle, all of these (and similar) regulations are asking for a decision analysis to be performed. Implementation challenges encountered have included lack of understanding of decision analysis in the industry, lack of effective stakeholder engagement in the decision analysis process, and lack of appreciation of the need to separate value judgments from science, the latter leading to developing conservative, or protective, science-based models. Conservative models lead to poor solutions, lack of effective stakeholder engagement leads to long drawn out protracted approaches to finding a solution (which also might never be found with this approach), and lack of understanding of decision analysis and Bayesian statistics causes poor models to be built, which creates unfortunate situations of 'garbage in, garbage out' becoming the basis for decision making. Stakeholder-engaged structured decision making (SDM) is an approach to solving problems that relies on the theory of decision science to involve stakeholders in the decision-making process. This approach incorporates stakeholder values using a scientifically rigorous methodology that separates value judgments from science in a way that helps avoid the pitfalls of biased, protective, or conservative modeling. This approach has its foundation in Keeney's 1992 treatise on value-focused thinking [1]. Keeney advocated a paradigm shift in decision making based on the idea that the standard way of thinking about decisions is backwards. The standard approach of focusing first on identifying alternatives rather than on articulating values results in a reactive approach with the emphasis on mechanics and fixed choices instead of the core values that have meaning to stakeholders. This paradigm shift effectively engages all stakeholders in the decision-making process while using a values focused thinking approach that can lead to the identification of decision opportunities and the creation of better alternatives. The intent is to be proactive and generate solutions that are related directly to values and objectives as identified by stakeholders. There are, perhaps, two overarching reasons why SDM can be used to benefit LANL's environmental legacy cleanup. Some of LANL's remaining waste management and environmental management problems are challenging and complex (for example, the Cr and RDX plumes, and MDAs) and while the traditional approach has, arguably, worked well for relatively simple risk-based problems, it cannot, or should not, be applied to more complex problems if the most effective and efficient solutions are desired. The second reason is cost. This has perhaps become more critical since publication of the Government Accountability Office (GAO) reports that DoE's environmental liability is considered a high-risk concern for the nation [2]. The focus of SDM is on structuring solutions to decision risk problems by first addressing stakeholder and decision maker values and subsequently developing decision objectives and ways to measure those objectives, preference weighting across objectives, identifying decision alternatives that best achieve those values, and characterizing uncertainty in predictions of the measures. Because a complete decision model is created using SDM, it can be evaluated to find the main elements of the model that drive, or predict, the best solution. This approach creates complete decision models that are transparent, traceable, reproducible and technically defensible. The science behind SDM, or decision analysis, is well founded, yet it is not unusual to see ad hoc approaches to decision making implemented under various environmental regulations that are pertinent to the LANL site, including NEPA, RCRA and DOE Order 435.1. Such ad hoc approaches are often not transparent or traceable, and lack reproducibility and technical defensibility. The LANL legacy cleanup program has embarked on using SDM to address the complex problems that remain. Stakeholder meetings have been held, and a prototype version of the stakeholder value system has been developed. Further meetings are expected in the future to address specific project needs. This is a long-term endeavor considering the complex environmental problems faced by DOE EM in Los Alamos (EM-LA), and careful planning, consideration of stakeholder value systems, and engagement with stakeholders throughout the SDM process is expected to lead to a successful endpoint. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

The SIMRAND methodology: Theory and application for the simulation of research and development projects

A research and development (R&D) project often involves a number of decisions that must be made concerning which subset of systems or tasks are to be undertaken to achieve the goal of the R&D project. To help in this decision making, SIMRAND (SIMulation of Research ANd Development Projects) is a methodology for the selection of the optimal subset of systems or tasks to be undertaken on an R&D project. Using alternative networks, the SIMRAND methodology models the alternative subsets of systems or tasks under consideration. Each path through an alternative network represents one way of satisfying the project goals. Equations are developed that relate the system or task variables to the measure of reference. Uncertainty is incorporated by treating the variables of the equations probabilistically as random variables, with cumulative distribution functions assessed by technical experts. Analytical techniques of probability theory are used to reduce the complexity of the alternative networks. Cardinal utility functions over the measure of preference are assessed for the decision makers. A run of the SIMRAND Computer I Program combines, in a Monte Carlo simulation model, the network structure, the equations, the cumulative distribution functions, and the utility functions.

Miles, R. F., Jr.↗

High Temperature Copper Metallization: Demand, Hurdles and Reliability

As newer cells structures come online, the pressing need to replace silver in the metallization pastes has renewed interest in alternative technologies employing base metals. Copper typically leads the charge with its abundance and lower cost but has faced numerous obstacles from relatively higher oxidation and diffusion rates which can damage the lifetime of the devices. In this study, a low-cost alternative to silver metallization pastes has been shown on PERC cells. The screen printable copper paste can be fired in air at temperatures >500 degrees C, and the impact of processing conditions and equipment on the performance and reliability of 274 cm2 cells have been evaluated. Through damp heat testing of micro-modules using 16 cm2 cells, routes that can lead to both the failure and success of durable contacts have been demonstrated.

copper↗

Impact of Fluidic Chevrons on Jet Noise

The impact of alternating fluidic core chevrons on the production of jet noise is investigated. Core nozzles for a representative 1/9th scale, bypass ratio 5 model system were manufactured with slots cut near the trailing edges to allow for air injection into the core and fan streams. The injectors followed an alternating pattern around the nozzle perimeter so that the injection alternated between injection into the core stream and injection into the fan stream. For the takeoff condition and a forward flight Mach number of 0.10, the overall sound pressure levels at the peak jet noise angle decrease with increasing injection pressure. Sound pressure levels increase for observation angles less than 110o at higher injection pressures due to increases in high frequency noise. Greater increases in high frequency noise are observed when the number of injectors increases from 8 to 12. When the forward flight Mach number is increased to 0.28, jet noise reduction (relative to the baseline) is observed at aft angles for increasing injection pressure while significant increases in jet noise are observed at forward observation angles due to substantial acoustic radiation at high frequencies. A comparison between inflow and alternating injectors shows that, for equal mass injection rates, the inflow nozzle produces greater low frequency noise reduction (relative to the baseline) than the alternating injectors at 90o and aft observation angles and a forward flight Mach number of 0.28. Preliminary computational fluid dynamic simulations indicate that the spatial decay rate of the hot potential core flow is less for the inflow nozzle than for the alternating nozzles which indicates that gentle mixing may be preferred over sever mixing when fluidic chevrons are used for jet noise reduction.

Henderson, Brenda S.↗

Profile Evolution Simulation in Etching Systems Using Level Set Methods

Semiconductor device profiles are determined by the characteristics of both etching and deposition processes. In particular, a highly anisotropic etch is required to achieve vertical sidewalls. However, etching is comprised of both anisotropic and isotropic components, due to ion and neutral fluxes, respectively. In Ar/Cl2 plasmas, for example, neutral chlorine reacts with the Si surfaces to form silicon chlorides. These compounds are then removed by the impinging ion fluxes. Hence the directionality of the ions (and thus the ion angular distribution function, or IAD), as well as the relative fluxes of neutrals and ions determines the amount of undercutting. One method of modeling device profile evolution is to simulate the moving solid-gas interface between the semiconductor and the plasma as a string of nodes. The velocity of each node is calculated and then the nodes are advanced accordingly. Although this technique appears to be relatively straightforward, extensive looping schemes are required at the profile corners. An alternate method is to use level set theory, which involves embedding the location of the interface in a field variable. The normal speed is calculated at each mesh point, and the field variable is updated. The profile comers are more accurately modeled as the need for looping algorithms is eliminated. The model we have developed is a 2-D Level Set Profile Evolution Simulation (LSPES). The LSPES calculates etch rates of a substrate in low pressure plasmas due to the incident ion and neutral fluxes. For a Si substrate in an Ar/C12 gas mixture, for example, the predictions of the LSPES are identical to those from a string evolution model for high neutral fluxes and two different ion angular distributions.(2) In the figure shown, the relative neutral to ion flux in the bulk plasma is 100 to 1. For a moderately isotropic ion angular distribution function as shown in the cases in the left hand column, both the LSPES (top row) and rude's string method (bottom row) predict tapered profiles. The LSPES uses an AD with a FWHM = 13.5 degrees, and rude's model uses a ratio of sheath voltage to ion temperature of 50. The more anisotropic IADs produce profiles with more vertical sidewalls and a wider bottom surface, as shown in the right hand column. Here, the LSPES has an AD with a FWHM = 2 degrees, and rude's model uses a ratio of 500 of sheath voltage to ion temperature. The agreement between the LSPES and rude's model is excellent in both cases. We will present etching profiles generated by the LSPES, including calculations of the re-emitted fluxes of both neutrals and ions off of the profile walls. In addition, we will show the effect of geometric structures (overhangs, etc.) on the etching profiles. Other physical aspects, such as surface diffusion, will also be included in the model.

Hwang, Helen H.↗

Phase 3 study of selected tether applications in space. Volume 2: Study results

Engineering designs were developed relative to a tethered launch assist from the Shuttle for payloads up to 10,000 kg mass and the tethering of a 15,000 kg science platform from the space station. These designs are used for a cost benefit analysis which assesses the feasibility of using such systems as a practical alternative to what would otherwise be accomplished by conventional means. The term conventional as related to both these applications is intended to apply to the use of some form(s) of chemical propulsion system.

Source record↗

Economic Analysis of Wet Waste-to-Energy Resources in the United States

Waste-to-energy (WTE) technologies provide opportunities to use waste materials beneficially in producing power, transportation fuels, and chemicals. Using a suite of economic models, this study estimates prices of four WTE resources: food waste; fats, oils, and greases (FOG); animal manure; and sewage sludge. Some of these materials are commoditized (e.g. FOG) thus their price is determined by market demand. For the materials regarded as waste, the study relates price to the avoided cost of disposal through waste management alternatives such as landfilling. This study finds that significant amounts of these feedstocks could be available at negative prices, meaning that a potential bioenergy facility could receive these materials for free or be paid to accept them in some locations. It is estimated that about 61% of sewage sludge, 27% of manure, and 7% of food waste may be available at negative prices. These negative price feedstocks are not uniformly distributed and are most likely to occur in areas with organic waste disposal bans, high population densities, and high landfill tipping fees. This study intends to open an initial discussion into how stakeholders view and value these materials, and how this view is evolving as their potential as WTE feedstocks is realized.

09 BIOMASS FUELS↗

Reversible parts-per-trillion-level detection of perfluorooctane sulfonic acid in tap water using field-effect transistor sensors

Widespread, persistent and toxic per- and polyfluoroalkyl substances (PFAS) pose a major threat to water systems and human health. Current detection methods are relatively expensive, slow and complex, underscoring the need for more accessible alternatives to meet increasingly stringent PFAS regulations. Here, in this study, we present an ultrasensitive sensing platform for perfluorooctane sulfonic acid detection in tap water with a reporting limit ( ~ 250 parts per quadrillion) lower than the US Environmental Protection Agency’s regulatory standard (4 parts per trillion), using a remote gate field-effect transistor featuring β-cyclodextrin (β-CD)-modified reduced graphene oxide as the sensing membrane. The sensor exhibits excellent selectivity against common inorganic ions, natural organic matter and select organic pollutants in tap water. The reversible and rapid response ( < 2 min) indicates the potential of remote gate field-effect transistor for continuous in-line monitoring. Mechanistic studies using quartz crystal microbalance and molecular dynamics simulations reveal key roles of analyte adsorption and charge properties in sensing performance and offer insights for designing more selective PFAS capture probes.

Wang, Yuqin [University of Chicago, IL (United Sta↗

Calculating adsorption isotherms using the two-phase thermodynamic method and molecular dynamics simulations

We describe the calculation of adsorption isotherms from molecular dynamics simulations based on the two-phase thermodynamic (2PT) model. The 2PT model developed for bulk fluid phases treats the gas-like components as hard spheres (HSs), which correctly recovers the limiting behaviors of unconfined fluids. We showed that this treatment, however, does not always lead to the correct zero-loading behavior in strongly confining systems. For methane adsorption into zeolite MFI, the HS reference state underestimates entropy by up to 20% at low loadings and leads to an order-of-magnitude increase in the adsorption onset pressure. To fix these issues, we propose the use of ideal adsorbed gas (IAG) as the gas reference model, the properties of which can be computed using the Widom insertion method on an empty adsorbent. We further describe three routes to compute adsorption isotherms from the Helmholtz free energy at different loadings. Comparing against established Monte Carlo (MC) methods, we found that the adsorption isotherms obtained using the IAG reference state agrees to within 40%, which corresponds to deviations of <5% in adsorption free energy. The isotherms calculated using the HS reference state underestimate the adsorption uptake at low to medium loadings in strongly confining systems, but its accuracy improves at higher loadings and as the pore size increases relative to the sorbate diameter. The methods described here provide an alternative approach for computing adsorption isotherms when MC simulations in an open ensemble are undesirable and enable a direct comparison of computed adsorption thermodynamics with experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Effect of electron–electron interactions on the emission characteristics of ultracold, nanoscale photoemission-based electron sources

For nearly 60 years, cold field emitters have been the source of choice for electron microscopy due to their high brightness and relatively low energy spread. In this paper, we have examined an alternative: nanoscale electron sources based on near-threshold photoemission. While these sources have not yet been realized, they hold the potential to produce significantly brighter beams than cold field emitters. We model electron–electron Coulomb interactions in beams emitted from such sources to calculate the impact of these interactions on the brightness and the energy spread. Our results show that these sources can theoretically deliver more than an order of magnitude brighter electron beams compared to cold field emitters along with more than an order of magnitude smaller energy spread, before being limited by the Coulomb interactions. Electron sources with such high brightness and low energy spread would be transformational for electron microscopy, enabling electron energy loss-based vibrational spectroscopy at the sub-nanometer scale.

Gevorkyan, G S↗