Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “efficiency maximization”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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

At least 1,783 records · Page 99

Quantitative comparison between sub-millisecond time resolution single-molecule FRET measurements and 10-second molecular simulations of a biosensor protein

Molecular Dynamics (MD) simulations seek to provide atomic-level insights into conformationally dynamic biological systems at experimentally relevant time resolutions, such as those afforded by single-molecule fluorescence measurements. However, limitations in the time scales of MD simulations and the time resolution of single-molecule measurements have challenged efforts to obtain overlapping temporal regimes required for close quantitative comparisons. Achieving such overlap has the potential to provide novel theories, hypotheses, and interpretations that can inform idealized experimental designs that maximize the detection of the desired reaction coordinate. Here, we report MD simulations at time scales overlapping with in vitro single-molecule Förster (fluorescence) resonance energy transfer (smFRET) measurements of the amino acid binding protein LIV-BP SS at sub-millisecond resolution. Computationally efficient all-atom structure-based simulations, calibrated against explicit solvent simulations, were employed for sampling multiple cycles of LIV-BP SS clamshell-like conformational changes on the time scale of seconds, examining the relationship between these events and those observed by smFRET. The MD simulations agree with the smFRET measurements and provide valuable information on local dynamics of fluorophores at their sites of attachment on LIV-BP SS and the correlations between fluorophore motions and large-scale conformational changes between LIV-BP SS domains. We further utilize the MD simulations to inform the interpretation of smFRET data, including Förster radius (R 0 ) and fluorophore orientation factor (κ 2 ) determinations. The approach we describe can be readily extended to distinct biochemical systems, allowing for the interpretation of any FRET system conjugated to protein or ribonucleoprotein complexes, including those with more conformational processes, as well as those implementing multi-color smFRET.

59 BASIC BIOLOGICAL SCIENCES↗

Addressing Research and Development Gaps for Plasma-Material Interactions with Linear Plasma Devices

Plasma-material interactions in future fusion reactors have been identified as a knowledge gap to be dealt with before any next step device past ITER can be built. The challenges are manifold. They are related to power dissipation so that the heat fluxes to the plasma-facing components can be kept at technologically feasible levels; maximization of the lifetime of divertor plasma-facing components that allow for steadystate operation in a reactor to reach the neutron fluence required; the tritium inventory (storage) in the plasma-facing components, which can lead to potential safety concerns and reduction in the fuel efficiency; and it is related to the technology of the plasma-facing components itself, which should demonstrate structural integrity under the high temperatures and high neutron fluence. While the dissipation of power exhaust can and should be addressed in high power toroidal devices, the interaction of the plasma with the materials can be best addressed in dedicated linear devices due to their cost effectiveness and ability to address urgent research and development gaps more timely. However, new linear plasma devices are needed to investigate the PMI under fusion reactor conditions and test novel plasma-facing components. Existing linear devices are limited either in their flux, their reactor-relevant plasma transport regimes in front of the target, their fluence, or their ability to test material samples a priori exposed to high neutron fluence. The proposed Material Plasma Exposure eXperiment (MPEX) is meant to address those deficiencies and will be designed to fulfill the fusion reactor-relevant plasma parameters as well as the ability to expose a priori neutron activated materials to plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

SCI Identification (SCIDNT) program user's guide

The computer program Linear SCIDNT which evaluates rotorcraft stability and control coefficients from flight or wind tunnel test data is described. It implements the maximum likelihood method to maximize the likelihood function of the parameters based on measured input/output time histories. Linear SCIDNT may be applied to systems modeled by linear constant-coefficient differential equations. This restriction in scope allows the application of several analytical results which simplify the computation and improve its efficiency over the general nonlinear case.

Source record↗

Multiple task point control of a redundant manipulator

The kinematic control of a redundant arm based on multiple tasks assigned to different locations of the manipulator is presented. This is equivalent to decomposing a redundant arm into two (or more) nonredundant local arms, the basearm and the forearm, at an intermediate arm location or task point called the elbow. A redundant arm is transformed into a serially cooperating dual-arm system, with the cooperation between the local arms being carried out at the elbow. Then, a manipulator end-effector motion specified by a given task is decomposed into motions of individual local arms as well as an end-effector free motion based on achieving maximum efficiency in task execution. To consider global optimization, elbow control is applied to reshaping and reorientation of a manipulability ellipsoid at the end effector during task execution. The resolved rate control of elbow in the end-effector null and free motion space is used to maximize arm homogeneity and to match the forearm motion space with the task space. Simulation results are shown.

Lee, Sukhan↗

Visual analysis of fluid dynamics at NASA's numerical aerodynamic simulation facility

A study aimed at describing and illustrating visualization tools used in Computational Fluid Dynamics (CFD) and indicating how these tools are likely to change by showing a projected resolution of the human computer interface is presented. The following are outlined using a graphically based test format: the revolution of human computer environments for CFD research; comparison of current environments; current environments with the ideal; predictions for the future CFD environments; what can be done to accelerate the improvements. The following comments are given: when acquiring visualization tools, potential rapid changes must be considered; environmental changes over the next ten years due to human computer interface cannot be fathomed; data flow packages such as AVS, apE, Explorer and Data Explorer are easy to learn and use for small problems, excellent for prototyping, but not so efficient for large problems; the approximation techniques used in visualization software must be appropriate for the data; it has become more cost effective to move jobs that fit on workstations and run only memory intensive jobs on the supercomputer; use of three dimensional skills will be maximized when the three dimensional environment is built in from the start.

Watson, Velvin R.↗

Collision avoidance of a multiple degree of redundancy manipulator operating through a window

The problem of collision-free operation of a multiple-degree-of-redundancy manipulator operating through a window is addressed. An efficient gradient projection optimization scheme is presented for the kinematic control of manipulators with multiple degrees of redundancy. This scheme was developed for dextrous robotic and telerobotic applications in space station construction as well as in congested shop floor environment. A performance criterion is defined to maximize the shortest distances between the manipulator links and the edges of the window. Effectiveness of this scheme and the validity of the performance criterion are verified through simulations of the seven-degree-of-freedom NASA Laboratory Telerobotic Manipulator.

Zghal, H.↗

Preliminary Design Optimization For A Supersonic Turbine For Rocket Propulsion

In this study, we present a method for optimizing, at the preliminary design level, a supersonic turbine for rocket propulsion system application. Single-, two- and three-stage turbines are considered with the number of design variables increasing from 6 to 11 then to 15, in accordance with the number of stages. Due to its global nature and flexibility in handling different types of information, the response surface methodology (RSM) is applied in the present study. A major goal of the present Optimization effort is to balance the desire of maximizing aerodynamic performance and minimizing weight. To ascertain required predictive capability of the RSM, a two-level domain refinement approach has been adopted. The accuracy of the predicted optimal design points based on this strategy is shown to he satisfactory. Our investigation indicates that the efficiency rises quickly from single stage to 2 stages but that the increase is much less pronounced with 3 stages. A 1-stage turbine performs poorly under the engine balance boundary condition. A portion of fluid kinetic energy is lost at the turbine discharge of the 1-stage design due to high stage pressure ratio and high-energy content, mostly hydrogen, of the working fluid. Regarding the optimization technique, issues related to the design of experiments (DOE) has also been investigated. It is demonstrated that the criteria for selecting the data base exhibit significant impact on the efficiency and effectiveness of the construction of the response surface.

Papila, Nilay↗

Geometric Reasoning for Automated Planning

An important aspect of mission planning for NASA s operation of the International Space Station is the allocation and management of space for supplies and equipment. The Stowage, Configuration Analysis, and Operations Planning teams collaborate to perform the bulk of that planning. A Geometric Reasoning Engine is developed in a way that can be shared by the teams to optimize item placement in the context of crew planning. The ISS crew spends (at the time of this writing) a third or more of their time moving supplies and equipment around. Better logistical support and optimized packing could make a significant impact on operational efficiency of the ISS. Currently, computational geometry and motion planning do not focus specifically on the optimized orientation and placement of 3D objects based on multiple distance and containment preferences and constraints. The software performs reasoning about the manipulation of 3D solid models in order to maximize an objective function based on distance. It optimizes for 3D orientation and placement. Spatial placement optimization is a general problem and can be applied to object packing or asset relocation.

Clement, Bradley J.↗

Design Considerations for a Mars Highland Helicopter

Mars is sharply divided into the relatively low-lying northern hemisphere, filled with plains, to the higher-elevation, rugged, southern hemisphere. All landers sent so far to Mars have only landed on the plains of the northern hemisphere. Access to the Martian Highlands would present an opportunity to acquire unique insights into the early geologic history of Mars. But landing on the Martian highlands presents many engineering challenges. A new approach has recently been proposed to consider the use of mid-air deployment, during the final subsonic stages of entry, descent, and landing, of a small rotorcraft from the aeroshell. The rotorcraft would enter a powered descent state (rotors would be spun to full speed at moderate collectives) after aeroshell release until reaching a modest altitude above the ground where the vehicle would pullout to level flight. After completing this initial EDL mid-air-deployment and landing, the rotorcraft, which would be capable of solar-electric recharging, would recharge over the course of a few days until ready for subsequent flight sorties to explore the highlands. This overall vehicle/mission concept is called the Mars Highland Helicopter. The paper will next demonstrate that a key necessary condition – efficient hover and forward flight under the much thinner atmospheric conditions of the highlands (0.01 kg/m3 vs. 0.015 kg.m3 for the Ingenuity Mars Helicopter Technology Demonstrator at Jezero Crater) – is indeed possible. This paper considers a number of EDL release/deployment strategies to minimize deployment aeroloads and maximize controllability during release from the EDL backshell. This mid-air-deployment discussion will be followed by a general analytical treatment of a Mars rotorcraft entering fully-powered descent and then forward flight cruise.

Mars Highland Helicopter↗

Web-Based Tools for Data-Informed Remedy Optimization: Software Theory and User Guide

This report documents the development and application of two web-based decision-support tools for pump-and-treat (P&T) groundwater remediation systems: PTOLEMY (Pump-and-Treat Optimized Location Evaluation to Maximize Yields) and OPTIMA (Optimization for Pump-and-Treat Implementation, Management, & Assessment). These tools enhance remedy design and management by leveraging advanced computational methods – specifically deep learning and multi-objective optimization – within a user-friendly platform. By integrating data-driven models with established hydrogeological knowledge, PTOLEMY and OPTIMA enable more efficient evaluation of well placement and operational strategies, helping site managers balance multiple remediation objectives under complex conditions. Both tools are implemented as modules within the SOCRATES (Suite Of Comprehensive Rapid Analysis Tools for Environmental Sites) web platform, which provides data access, visualization, and analytics to support remedy optimization across sites in the U.S. Department of Energy Office of Environmental Management complex. PTOLEMY is a rapid screening module designed to identify promising locations for new extraction wells. It employs a multi-channel three-dimensional convolutional neural network (MC3D-CNN) trained on high-fidelity simulation data to predict the relative performance (in terms of contaminant mass recovery) of potential well sites. Through an interactive web interface, PTOLEMY visualizes the probability of high performance across a site, highlighting areas where an extraction well is likely to yield above-threshold contaminant removal over a multi-year period. PTOLEMY’s map-based displays and exportable results support transparent communication of screening analyses. By focusing attention on the most favorable candidate locations, the tool augments traditional engineering judgment and physics-based modeling, providing a data informed basis for subsequent detailed evaluations. OPTIMA is a multi objective optimization module designed to find wellfield layouts and operating schedules that meet various cleanup goals. It quickly evaluates thousands of candidate setups – combinations of well locations, timing, and rates – and returns a small set of best trade-off options for comparison. At its core, OPTIMA uses a U-Net-based surrogate model – a deep-learning emulator of a groundwater flow and transport simulator – to dramatically accelerate scenario evaluations. Coupling this fast surrogate with the NSGA-II (Non-dominated Sorting Genetic Algorithm II) evolutionary algorithm, OPTIMA explores a wide decision space of well locations and schedules to identify Pareto-optimal solutions that trade off key objectives (e.g., minimizing cleanup time, maximizing contaminant mass removal, and minimizing plume extent). The tool outputs a family of optimal configurations and visualizes their trade-offs (Pareto frontiers of cleanup metrics and maps of optimized well placements). Site managers can use these results to understand the range of viable strategies and to select candidate designs for more detailed verification. OPTIMA is currently under active development and not yet fully released; this guide provides early documentation to support planning and gather user feedback.

54 ENVIRONMENTAL SCIENCES↗

TU-F-18A-08: Effect of Quantum Detection Efficiency and Energy Bin Selection On Contrast-To-Noise-Ratio for Energy-Resolved Photon-Counting Detectors

Purpose: Energy-resolved photon-counting detectors have the capability to discriminate photons according to their energies. By using optimal energy weighting factors, the contrast-to-noise-ratio (CNR) of the reconstructed image can be improved. In this work, we investigate how quantum detection efficiency (QDE) affects the determination of the optimal energy threshold bins, and therefore the CNR improvement of photon-counting detectors. Methods: In this simulation study a photon-counting detector, based on Silicon (Si), was investigated. A task-oriented algorithm was used to determine the optimal energy bin setting in order to maximize CNR. Projection-based and Image-based energy weighting techniques were implemented. A 13 mm PMMA phantom with two contrast materials, hydroxyapatite (HA) and iodine (I), at different concentrations (100, 200, and 300 mg/mL for HA and 2, 4, and 8 mg/mL for I) was used. TASMIP algorithm was used to generate the spectrum with 2.7 mm Al filter. Different tube voltages, number of energy bins, and bin widths were investigated. Different thicknesses of Si were also investigated to determine the QDE effect on CNR. Results: CNR increased as the detector material thickness increased until it reached 30 mm for Si thickness such that the CNR value was near to the value predicted by an ideal detector. Also, the results indicated that the improvement of CNR due to the QDE is task-dependent when comparing weighted images to photon-counting images. For hydroxyapatite the improvement is approximately 20%, whereas for iodine it is less than 10%. Conclusion: The results showed that the improvement of CNR for an energy-resolved photon-counting detector is highly task-dependent when QDE is taken into account.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Optimal charging profiles for mechanically constrained lithium-ion batteries

The cost and safety related issues of lithium-ion batteries require intelligent charging profiles that can efficiently utilize the battery. This paper illustrates the application of dynamic optimization in obtaining the optimal current profile for charging a lithium-ion battery using a single-particle model while incorporating intercalation-induced stress generation. In this paper, we focus on the problem of maximizing the charge stored in a given time while restricting the development of stresses inside the particle. Conventional charging profiles for lithium-ion batteries (e.g., constant current followed by constant voltage) were not derived by considering capacity fade mechanisms. These charging profiles are not only inefficient in terms of lifetime usage of the batteries but are also slower since they do not exploit the changing dynamics of the system. Dynamic optimization based approaches have been used to derive optimal charging and discharging profiles with different objective functions. The progress made in understanding the capacity fade mechanisms has paved the way for inclusion of that knowledge in deriving optimal controls. While past efforts included thermal constraints, this paper for the first time presents strategies for optimally charging batteries by guaranteeing minimal mechanical damage to the electrode particles during intercalation. In addition, an executable form of the code has been developed and provided. This code can be used to identify optimal charging profiles for any material and design parameters.

Suthar, B↗

Systematic evaluation of structure–property relationships in heteroacene – diketopyrrolopyrrole molecular donors for organic solar cells

Improved understanding of fundamental structure–property relationships, particularly the effects of molecular shape and intermolecular packing on film morphology and active layer charge transport characteristics, enables more rational synthesis of new p-type small molecules. Here we investigate a series of small molecules consisting of an acene-based electron-rich core flanked by one or two electron-deficient diketopyrrolopyrrole (DPP) moieties. Through minor changes in the molecule structures, measurable variations in the crystal structure and sizable differences in macroscopic properties are achieved. The molecular symmetry as well as the conformation of the side chains affects the unit cell packing density and strength of the intermolecular electronic coupling in single crystals of all molecules in this series. Here, the addition of a second DPP unit to the benzodithiophene (BDT) core increases molecular planarity leading to decreased reorganization energy, strong cofacial coupling, and moderate hole mobility (2.7 × 10 –4 cm 2 V –1 s –1 ). Increasing the length of the acene core from benzodithiophene to naphthodithiophene (NDT) results in a further reduction in reorganization energy and formation of smaller crystalline domains (~11 nm) when mixed with PCBM. Decreasing the aspect ratio of the core using a “zig-zag” naphthodithiophene (zNDT) isomer results in the highest hole mobility of 1.3 × 10 –3 cm 2 V –1 s –1 due in part to tight lamellar (d = 13.5 Å) and π–π stacking (d = 3.9 Å). The hole mobility is directly correlated with the short-circuit current (11.7 mA cm –2 ) and solar cell efficiency (4.4%) of the highest performing zNDT:PCBM device. For each of these small molecules the calculated π-coupling constant is correlated with the hole mobility as a function of crystal structure and orientation indicating the importance of designing molecules that create extended crystalline networks with maximal π-orbital overlap.

36 MATERIALS SCIENCE↗

3D Bacterial flagella as both synthetic biotemplates and ultrathin spacers for enhanced inter-particle coupling and solar energy harvesting

Linear light-absorbing nanomaterials are ideal for film-based solar harvesting applications as they form porous structures that can maximize the absorption and minimize the reflection of the solar light. Conventional 1D nanochains of plasmonic nanoparticle assemblies can achieve significantly broadened optical absorption through surface plasmon coupling, but their optical bands are still not broad enough to absorb through the solar spectrum and thus are not efficient solar absorbers. Here we discovered first by simulation that 3D structured nanochains of plasmonic nanoparticles presented a remarkably increased optical broadening effect and much longer redshift of the optical peaks due to the enhanced inter-particle coupling effect. Then we fabricated 3D nanochains by assembling gold nanoparticles (AuNPs) around 14 nm ultrathin bionanofibers, the bacterial flagella. Additionally, the ultrathin biotemplates enabled the 3D arrangement of 50 nm AuNPs along the nanofiber with a very small inter-particle gap, allowing the strong coupling of surface plasmons in a 3D manner. Consistent with the theoretical prediction, the 3D nanochains, when assembled into films, could effectively convert nearly the full spectrum of solar energy into heat, which was further efficiently converted into electricity through a thermoelectric generation unit. Our work represents a nanobiomaterial approach to highly efficient solar thermal power generation.

36 MATERIALS SCIENCE↗

Performance of pumped counterflow virtual impactors to study aerosol interactions with laboratory generated warm clouds

Pumped Counterflow Virtual Impactors (PCVI) are designed to separate aerosols based on aerodynamic diameter, which is particularly useful for isolating cloud droplets and ice crystals from smaller particles. However, the PCVI transmission efficiency (TE) values reported in the literature show considerable variability, and little information is available on the TEs for cloud liquid droplets. Here, we determined the optimal flow conditions for PCVI sampling for different activation ratios from the MTU Pi-cloud chamber, highlighting the conditions that maximize droplet residual sampling while minimizing interstitial transmission. Even for a lower limit cloud activation ratio = 1:10, an add flow of 1.5 LPM achieves a residual fraction greater than 0.80, with a droplet TE of ∼15% for typical Pi-Chamber droplets with diameters between 3.5 to 10 µm. This framework can be adapted for field cloud measurements based on the cloud conditions of interest. TE for cloud droplets under flow conditions at which ∼99% of the unactivated submicron particles were removed was substantially lower between 8 and 16% than for supermicron dry particles (∼30 to 40% for 3 µm polystyrene latex spheres). In addition, we conducted a comparison of the performances of three similar PCVI units to assess repeatability for dry aerosols and cloud droplets. All three PCVIs performed similarly in rejecting submicron particles smaller than the desired cutoff diameter. One of the units showed lower TEs due to a misalignment of the internal orifice. We discuss a procedure that improved alignment and performance.

54 ENVIRONMENTAL SCIENCES↗

Capacity Investment under Bayesian Information Updates at Reporting Periods: Model and Application

We consider capacity addition decisions by a new product manufacturer faced with uncertain technology alternatives. The manufacturing capacity addition and technology development occurs in parallel, with preliminary results from a technology project's success providing valuable information to the manufacturer in adding capacity. We solve a stochastic dynamic program with Bayesian updates to obtain the manufacturer's expected profit‐maximizing capacity investment decision. Our model and applications are motivated by the Critical Materials Institute (CMI) (funded by the Department of Energy), which manages research projects focused on mitigating critical material constraints, vital to renewable energy technologies such as direct‐drive wind turbines, electric vehicles, and energy‐efficient lighting. We capture three unique aspects of the problem: first, the learning from project progress depends on task‐based stochastic outcomes and a project's percent‐done. Second, the underlying technology's profitability is based on a model of competition. Third, we evaluate the impact of progress across a portfolio of projects based on a manufacturer's capacity addition. We develop a heuristic that produces results that are close to optimal and can thus be used for large problem sizes. The managerial insights from an application of our model to CMI projects include: (i) technology projects that report the percent‐done of a project earlier increase expected manufacturer profit; (ii) careful choice of “safe bets,” that is, technologies with low profitability but a high probability of success, can increase expected manufacturer profit; (iii) a portfolio of projects can increase profits significantly over separate project evaluation; and (iv) dynamic management of project resources can increase overall profit.

Vedantam, Aditya↗

LHS 1815b: The First Thick-disk Planet Detected by TESS

We report the first discovery of a thick-disk planet, LHS 1815b (TOI-704b, TIC 260004324), detected in the Transiting Exoplanet Survey Satellite (TESS) survey. LHS 1815b transits a bright (V = 12.19 mag, K = 7.99 mag) and quiet M dwarf located 29.87 ± 0.02 pc away with a mass of 0.502 ± 0.015 M {sub ⊙} and a radius of 0.501 ± 0.030 R {sub ⊙}. We validate the planet by combining space- and ground-based photometry, spectroscopy, and imaging. The planet has a radius of 1.088 ± 0.064 R {sub ⊕} with a 3σ mass upper limit of 8.7 M {sub ⊕}. We analyze the galactic kinematics and orbit of the host star LHS 1815 and find that it has a large probability (P {sub thick}/P {sub thin} = 6482) to be in the thick disk with a much higher expected maximal height (Z {sub max} = 1.8 kpc) above the Galactic plane compared with other TESS planet host stars. Future studies of the interior structure and atmospheric properties of planets in such systems using, for example, the upcoming James Webb Space Telescope, can investigate the differences in formation efficiency and evolution for planetary systems between different Galactic components (thick disks, thin disks, and halo).

79 ASTRONOMY AND ASTROPHYSICS↗