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At least 1,693 records · Page 94

Hydrogen adsorption and desorption with 3D silicon nanotube-network and film-network structures: Monte Carlo simulations

Hydrogen is clean, sustainable, and renewable, thus is viewed as promising energy carrier. However, its industrial utilization is greatly hampered by the lack of effective hydrogen storage and release method. Carbon nanotubes (CNTs) were viewed as one of the potential hydrogen containers, but it has been proved that pure CNTs cannot attain the desired target capacity of hydrogen storage. In this paper, we present a numerical study on the material-driven and structure-driven hydrogen adsorption of 3D silicon networks and propose a deformation-driven hydrogen desorption approach based on molecular simulations. Two types of 3D nanostructures, silicon nanotube-network (Si-NN) and silicon film-network (Si-FN), are first investigated in terms of hydrogen adsorption and desorption capacity with grand canonical Monte Carlo simulations. It is revealed that the hydrogen storage capacity is determined by the lithium doping ratio and geometrical parameters, and the maximum hydrogen uptake can be achieved by a 3D nanostructure with optimal configuration and doping ratio obtained through design optimization technique. For hydrogen desorption, a mechanical-deformation-driven-hydrogen-release approach is proposed. Compared with temperature/pressure change-induced hydrogen desorption method, the proposed approach is so effective that nearly complete hydrogen desorption can be achieved by Si-FN nanostructures under sufficient compression but without structural failure observed. The approach is also reversible since the mechanical deformation in Si-FN nanostructures can be elastically recovered, which suggests a good reusability. This study may shed light on the mechanism of hydrogen adsorption and desorption and thus provide useful guidance toward engineering design of microstructural hydrogen (or other gas) adsorption materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Enforcing compatibility and constraint conditions and information retrieval at the design action

The design of complex entities is a multidisciplinary process involving several interacting groups and disciplines. There is a need to integrate the data in such environments to enhance the collaboration between these groups and to enforce compatibility between dependent data entities. This paper discusses the implementation of a workstation based CAD system that is integrated with a DBMS and an expert system, CLIPS, (both implemented on a mini computer) to provide such collaborative and compatibility enforcement capabilities. The current implementation allows for a three way link between the CAD system, the DBMS and CLIPS. The engineering design process associated with the design and fabrication of sheet metal housing for computers in a large computer manufacturing facility provides the basis for this prototype system.

Woodruff, George W.↗

Giant Mechano-Optoelectronic Effect in an Atomically Thin Semiconductor

Transition metal dichalcogenides (TMDs) are particularly sensitive to mechanical strain as they are capable of experiencing high atomic displacements without nucleating defects to release excess energy. Promising for photonic applications, it has been shown that as TMDs are scaled to a thickness of one monolayer, the photoluminescence response is dramatically enhanced due to the emergence of a direct electronic band gap, compared with multi-layer or bulk TMDs which typically exhibit indirect band gaps. Recently, mechanical strain has also been predicted to enable direct excitonic recombination in these materials, where large changes in the photoluminescence response will occur during an indirect-to-direct band gap transition brought on by elastic tensile strain. Here, we demonstrate a two orders of magnitude enhancement in the photoluminescence emission intensity in uniaxially strained single crystalline WSe 2 bilayers. Through a theoretical model which includes experimentally relevant system conditions, we determine this amplification to arise from a significant increase in direct excitonic recombination. Adding confidence to the high levels of elastic strain achieved in this report, we observe strain-independent mode-dependent Grüneisen parameters over the entire range of tensile strain (1– 3.59 %) which were obtained as 1.149±0.027, 0.307±0.061, and 0.357±0.103 for the E 2g , A 1g , and A 2 1g optical phonon modes, respectively. Lastly, these results can inform the predictive strain-engineered design of other atomically thin indirect semiconductors, where a decrease in out-of-plane bonding strength will lead to an increase in the strength of strain-coupled optoelectronic effects.

36 MATERIALS SCIENCE↗

Co-Optimization of Fuels & Engines: FY16 Year in Review

The U.S. Department of Energy's (DOE) Co-Optimization of Fuels & Engines (Co-Optima) initiative is accelerating the introduction of affordable, scalable, and sustainable fuels and high-efficiency, low-emission engines with a first-of-its-kind effort to simultaneously tackle fuel and engine research and development (R&D). This report summarizes accomplishments in the first year of the project. Co-Optima is conducting concurrent research to identify the fuel properties and engine design characteristics needed to maximize vehicle performance and affordability, while deeply cutting emissions. Nine national laboratories - the National Renewable Energy Laboratory and Argonne, Idaho, Lawrence Berkeley, Lawrence Livermore, Los Alamos, Oak Ridge, Pacific Northwest, and Sandia National Laboratories - are collaborating with industry and academia on this groundbreaking research.

09 BIOMASS FUELS↗

Spacecraft expected cost analysis with k-out-of-n:G subsystems

In designing a subsystem for a spacecraft, the design engineer is often faced with a number of options ranging from planning an inexpensive subsystem with low reliability to selecting a highly reliable system that would cost much more. We minimize the total of the cost of the subsytem and the costs that would occur if the subsystem fails. We choose the subsystem with the lowest total. A k-out-of-n:G subsystem has n modules, of which k are required to be good for the subsystem to be good. We examine two models to illustrate the principles of the k-out-of-n:G subsystem designs. For the first model, the following assumptions are necessary: the probability of failure of any module in the system is not affected by the failure of any other module; and each of the modules has the same probabillity of success. For the second model we are also free to choose k in our subsystem.

Patterson, Richard↗

Advanced Hydrogen Fueling Station Supply: Tube Trailers

Air Products and Chemicals, Inc. (Air Products) is reporting on the results of a DOE-funded program to develop and validate Advanced Hydrogen Fueling Station hydrogen tube trailers to support hydrogen and fuel cell market applications. The project involved the engineering design and development of a new composite over-wrapped pressure vessel to increase the pressure capability of tube trailers to deliver hydrogen to greater than 8500 psi (586 bar). The new composite over-wrapped pressure vessel tube trailer was expected to provide improved delivery technology and reduce the cost of transporting hydrogen from central hydrogen production sources. The project aimed to meet or exceed DOE’s 2020 delivery targets for tube trailer hydrogen distribution. A gated approach was taken for the project, with early project Go/No-Go decision points. Specific goals for this four-stage product development project included: Preliminary Study, Modeling, and Analysis: Complete a preliminary design analysis and cost viability of a >8500 psi (586 bar) hydrogen storage vessel with an appropriate frame and chassis configuration for a complete trailer to US DOT requirements; Develop New Tube Size for >8500 psi (586 bar) Vessel: Fabricate tubes for test units, perform testing, and submit test results for a DOT Special Permit; Design, fabricate, and test a delivery trailer unit; Deploy the delivery trailer to hydrogen stations and collect data. Work conducted under DE-EE0006524 established costs for US DOT Type III vessels at 8500 psi (586 bar), 12500 psi (862 bar), and 14000 psi (965 bar) with manufactured water volumes up to 375 liters. Trailer module designs were established for the maximum US DOT design limits and for Air Products’ design limit of a 40-foot trailer length that addresses California hydrogen fueling station ingress and egress operating constraints. Conceptual trailer designs were not capable of achieving the DOE 2020 capacity and cost targets, but they did exceed the DOE pressure target of 500 bar. Based on new trailer cost and simulated operating performance, the 8500 psi (586 bar) new trailer design is not feasible in comparison to Air Products’ DOT-approved 7500 psi (520 bar) trailer design in operation today. Also, the project was expected to incur significantly higher product development costs associated with new US DOT vessel development and approval. Alternative trailer design concepts were explored that included 700 bar compression-less mobile fueling that could be promising for early-market hydrogen infrastructure fueling station placement and development and niche military applications. Due to the economic and budget challenges identified in the feasibility phase of the program, Air Products, in agreement with the Department of Energy, decided to terminate this development program.

08 HYDROGEN↗

FULL ACCEPTANCE INTERACTION REGION DESIGN OF JLEIC

Nuclear physics experiments envisioned at a proposed future Electron-Ion Collider (EIC) require high luminosity of 10^33-10^34 cm^-2s^-1 and a full-acceptance detector capable of reconstruction of a whole electron-ion collision event. Due to a large asymmetry in the electron and ion momenta in an EIC, the particles associated with the initial ion tend to go at very small angles and have small rigidity offsets with respect to the initial ion beam. They are detected after they pass through the apertures of the final focusing quadrupoles. Therefore, the apertures must be sufficiently large to provide the acceptance required by experiments. In addition, to maximize the luminosity, the final focusing quadrupoles must be placed as close to the interaction point as possible. A combination of these requirements presents serious detection, optics and engineering design challenges. We present a design of a full-acceptance interaction region of Jefferson Lab Electron-Ion Collider (JLEIC). The paper presents how this design addresses the above requirements up to an ion momentum of 200 GeV/c. We summarize the magnet parameters, which are kept consistent with the Nb-Ti superconducting magnet technology.

Morozov, V.S.↗

Cryogenic Thermal Performance Testing of Bulk-Fill and Aerogel Insulation Materials

The research testing and demonstration of new bulk-fill materials for cryogenic thermal insulation systems was performed by the Cryogenics Test Laboratory at NASA Kennedy Space Center. Thermal conductivity testing under actual-use cryogenic conditions is a key to understanding the total system performance encompassing engineering, economics, and materials factors. A number of bulk fill insulation materials, including aerogel beads, glass bubbles, and perlite powder, were tested using a new cylindrical cryostat. Boundary temperatures for the liquid nitrogen boil-off method were 293 K and 78 K. Tests were performed as a function of cold vacuum pressure from high vacuum to no vacuum conditions. Results are compared with other complementary test methods in the range of 300 K to 20 K. Various testing techniques are shown to be required to obtain a complete understanding of the operating performance of a material and to provide data for answers to design engineering questions.

Scholtens, B. E.↗

High Performance Solvent for NGCC Flue Gas CO 2 Capture (Final Technical Report)

Amine-based solvent absorption is the most mature and reliable technology for large scale CO 2 capture, dating back to the 1930s when monoethanolamine (MEA) was used to treat acid gases from oil refineries. However, while strategic advancements have optimized the CO2 capture process, the cost of capture remains high, where current estimates suggest that CO 2 capture costs are around $\$$72/tonne of CO 2 . To address this, solvent development and optimization have become a focus of current research. This project sought to develop a high-performance solvent to reduce the overall cost of CO 2 capture from NGCC flue gas. Here, solvent optimization focused on: (1) reducing the energy required for CO 2 desorption in a reboiler, (2) improving CO 2 absorption and desorption reaction kinetics, (3) improving solvent stability, and (4) reducing environmental impacts. Susteon has developed and evaluated a promoted solvent, Sustenol™, for NGCC flue gas CO 2 capture. The optimized Sustenol™ also shows a higher dynamic CO 2 absorption capacity of ~0.5 mol CO2 /mol amine compared to 0.25 mol CO2 /mol amine for 30 wt% MEA. Additionally, the solvent is oxidatively, thermally and hydrothermally stable, which leads to lower solvent loss and emissions. These advancements have resulted in a solvent regeneration energy of 2.16 GJ/tonne of CO 2 which is >30% lower than current state-of-the-art commercial and emerging solvents. Combined with empirical data from the bench and pilot scale testing, this preliminary TEA study indicated the cost of CO 2 capture by Sustenol™ for 97% CO 2 removal at $\$$54/tonne and for 90% removal at $\$$49/tonne, with a pathway to achieve $\$$45/tonne of CO 2 with continued process and solvent advancements. Susteon has developed a technology roadmap to reduce the cost of CO 2 capture to <$\$$45/tonne for NGCC flue gas. Susteon plans to derisk this technology for commercial deployment through comprehensive solvent degradation testing, long-term testing in a pilot plant at 5 tonne CO2 /day and demonstration scale testing at 100 tonne CO2 /day with NGCC flue gas and engineering design studies to qualify Sustenol™ as a drop-in replacement solvent.

03 NATURAL GAS↗

Co-Optimization of Internal Combustion Engines and Biofuels

The development of advanced engines has significant potential advantages in reduced aftertreatment costs for air pollutant emission control, and just as importantly for efficiency improvements and associated greenhouse gas emission reductions. There are significant opportunities to leverage fuel properties to create more optimal engine designs for both advanced spark-ignition and compression-ignition combustion strategies. The fact that biofuel blendstocks offer a potentially low-carbon approach to fuel production, leads to the idea of optimizing the entire fuel production-utilization value chain as a system from the standpoint of life cycle greenhouse gas emissions. This is a difficult challenge that has yet to be realized. This presentation will discuss the relationship between chemical structure and critical fuel properties for more efficient combustion, survey the properties of a range of biofuels that may be produced in the future, and describe the ongoing challenges of fuel-engine co-optimization.

09 BIOMASS FUELS↗

Spatiotemporal Adaptive Passive Direct Air Capture

Carbon Collect Inc., along with Arizona State University, the Electric Power Research Institute (EPRI), PM Group, and Trimeric Corporation, completed an initial design of a commercial-scale, passive direct air capture (DAC) system termed “carbon trees” that will capture, separate, and store at least 100,000 tonnes/year of carbon dioxide (CO2) from air (net basis). Passive DAC is unique among DAC technologies in that passive air delivery by wind avoids the energy penalty of forced convection. Carbon Collect Inc.’s sorbent-agnostic approach offers the flexibility to choose sorbents for a wide range of climates. A combination of steam, low-grade heat, and vacuum releases the CO2 from the sorbent, which is extracted from the chamber and purified and compressed for geological storage. A commercial carbon tree forest combines the output of several thousand trees for compression and purification with high heat and energy integration. The project team prepared an initial engineering design package for each of three geographically diverse host sites throughout the United States to better understand the effect of local/regional ambient conditions on DAC system performance and project costs. A techno-economic analysis, life cycle analysis, business case analysis, and an environmental, health, and safety risks assessment were also completed for each of the three geographically diverse host sites.

14 SOLAR ENERGY↗

A Concept of a Convection–Cloud Chamber to Study Aerosol–Cloud–Drizzle Interactions

Understanding and quantifying the full chain of processes from aerosol activation to drizzle formation, and the associated feedbacks to the aerosol chemical and physical properties, all within a turbulent cloud are some of the toughest challenges in atmospheric chemistry and physics and are keys to the cloud–precipitation puzzle. This paper describes a concept for a new type of research facility consisting of a cloud chamber plus associated instrumentation and computational models, to explore aerosol–cloud interactions and processing, cloud optical properties, entrainment–cloud interactions, and quantitative assessment of drizzle onset. The envisioned design is for a 3 m × 3 m × 9 m chamber, such that the height is sufficient to achieve long lifetimes for aerosol processing and for significant drizzle growth by collision and coalescence. A suite of computational tools for simulating microphysical properties in the chamber provides a digital twin for designing the chamber and a range of example experiments. Theory and test results from novel remote sensing systems for exploring chemical and physical interactions and evolution of aerosols, cloud droplets, and drizzle within turbulent clouds are described. Testing of technology needed for the operation of a large-volume chamber, including aerosol generation methods and novel materials for water vapor boundary conditions, is described. Simulations suggest that spatially uniform turbulence and microphysical properties can be sustained in a steady state, with reasonable aerosol and water vapor fluxes, and that substantial drizzle can be produced through collision and coalescence of cloud droplets. Remaining challenges for more detailed engineering design and a discussion of possible first-light experiments are described.

54 ENVIRONMENTAL SCIENCES↗

Development of CFD code evaluation criteria and a procedure for assessing predictive capability and performance

Careful validation of computational fluid dynamic (CFD) codes is essential if they are to be used as engineering design tools. Validation must be carried out in a systematic manner to ensure that all code aspects as they apply to the application of interest are understood and, to the greatest extent possible, quantified. A study is being conducted in which a general code validation procedure is defined and demonstrated. A four phase validation procedure is defined in which a series of validation test cases are computed and compared with available analytical solutions and test data. The procedure is demonstrated using the REACT CFD code to compute validation cases for each of the four phases. For phase four, the application of interest, the Space Shuttle Main Engine high pressure fuel turbopump impeller flow field, is computed.

Lin, S. J.↗

Evaluation of the Uncertainty in JP-7 Kinetics Models Applied to Scramjets

One of the challenges of designing and flying a scramjet-powered vehicle is the difficulty of preflight testing. Ground tests at realistic flight conditions introduce several sources of uncertainty to the flow that must be addressed. For example, the scales of the available facilities limit the size of vehicles that can be tested and so performance metrics for larger flight vehicles must be extrapolated from ground tests at smaller scales. To create the correct flow enthalpy for higher Mach number flows, most tunnels use a heater that introduces vitiates into the flow. At these conditions, the effects of the vitiates on the combustion process is of particular interest to the engine designer, where the ground test results must be extrapolated to flight conditions. In this paper, the uncertainty of the cracked JP-7 chemical kinetics used in the modeling of a hydrocarbon-fueled scramjet was investigated. The factors that were identified as contributing to uncertainty in the combustion process were the level of flow vitiation, the uncertainty of the kinetic model coefficients and the variation of flow properties between ground testing and flight. The method employed was to run simulations of small, unit problems and identify which variables were the principal sources of uncertainty for the mixture temperature. Then using this resulting subset of all the variables, the effects of the uncertainty caused by the chemical kinetics on a representative scramjet flow-path for both vitiated (ground) and nonvitiated (flight) flows were investigated. The simulations showed that only a few of the kinetic rate equations contribute to the uncertainty in the unit problem results, and when applied to the representative scramjet flowpath, the resulting temperature variability was on the order of 100 K. Both the vitiated and clean air results showed very similar levels of uncertainty, and the difference between the mean properties were generally within the range of uncertainty predicted.

Norris, A. T.↗

Magnetohydrodynamic Augmented Propulsion Experiment: I. Performance Analysis and Design

The performance of conventional thermal propulsion systems is fundamentally constrained by the specific energy limitations associated with chemical fuels and the thermal limits of available materials. Electromagnetic thrust augmentation represents one intriguing possibility for improving the fuel composition of thermal propulsion systems, thereby increasing overall specific energy characteristics; however, realization of such a system requires an extremely high-energy-density electrical power source as well as an efficient plasma acceleration device. This Technical Publication describes the development of an experimental research facility for investigating the use of cross-field magnetohydrodynamic (MHD) accelerators as a possible thrust augmentation device for thermal propulsion systems. In this experiment,a 1.5-MW(sub e) Aerotherm arc heater is used to drive a 2-MW(sub e) MHD accelerator. The heatsink MHD accelerator is configured as an externally diagonalized, segmented channel, which is inserted into a large-bore, 2-T electromagnet. The performance analysis and engineering design of the flow path are described as well as the parameter measurements and flow diagnostics planned for the initial series of test runs.

Litchford, R. J.↗

Mechanical Characterization of Woven Composites at Different Temperatures

This work is to characterize the mechanical properties of the selected composites along both on- and off- fiber axes at the ambient loading condition (+25°C), as well as at the cold (-54°C), and high temperatures (+71°C). A series of tensile experiments were conducted at different material orientations of 0°, 22.5°, 45°, 67.5°, 90° to measure the ultimate strength and strain $σ_{f}, ϵ_{f}$, and material engineering constants, including Young's modulus Ε and Poisson's ratio ν. The composite materials in this study were one carbon composite carbon (AS4C/UF3662) and one E-galss (E-glass/UF3662) composite. They both had the same resin of UF 3362, but with different fibers of carbon AS4C and E-glass. The mechanical loading in this study was limited to the quasi-static loading of 2 mm/min (1.3x10 ^(-3) in/s), which was equivalent to 5x10 (-4) strain rate. These experimental data of the mechanical properties of composites at different loading directions and temperatures were summarized and compared. These experimental results provided database for design engineers to optimize structures through ply angle modifications and for analysts to better predict the component performance.

36 MATERIALS SCIENCE↗

Applying design principles to fusion reactor configurations for propulsion in space

We applied three design principles (DPs) to adapt and optimize three candidate-terrestrial-fusion-reactor configurations for propulsion in space. The three design principles are: (1) provide maximum direct access to space for waste radiation, (2) operate components as passive radiators to minimize cooling-system mass, and (3) optimize the plasma fuel, fuel mix, and temperature for best specific Jet power. The three candidate-terrestrial-fusion-reactor configurations are: (1) the thermal-barrier-tandem-mirror (TBTM), (2) field-reversed-mirror (FRM), and (3) levitated-dipole-field (LDF). The resulting three candidate-space-fusion-propulsion systems have their initial-mass-to-LEO minimized and their specific jet power and reusability maximized. We performed a preliminary rating of these configurations and concluded that the leading engineering-design solution to space fusion propulsion is a modified TBTM that we call the Mirror Fusion Propulsion System.

Carpenter, Scott A.↗

2024 International Conference on Microbiome Engineering (ICME)

The 2024 International Conference on Microbiome Engineering (ICME) took place November 12-14 at Tufts University in Medford, MA. ICME connects experts from academia and industry to share the most recent developments in the field of microbiome engineering. This includes genetically engineered organisms that function within microbiomes, control of microbiomes through environmental/nutrient modifications, and inference of engineering principles from analysis of synthetic and natural microbiomes. The conference is unique and distinct from other microbiome conferences in that it specifically highlights the integration of engineering design principles with microbiome research (others are more focused on basic biological principles). The conference thus integrates synthetic biology, systems biology, microbial ecology, and bioinformatics across a range of application spaces from the environment to manufacturing, food, and human health. This project utilized support from the Department of Energy’s (DOE) Office of Biological and Environmental Research (BER) to help trainees and early career faculty attend ICME.

60 APPLIED LIFE SCIENCES↗