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At least 865 records · Page 48

Computational modelling and experimental tank testing of the multi float WaveSub under regular wave forcing

A submerged wave device generates energy from the relative motion of floating bodies. In WaveSub, three floats are joined to a reactor; each connected to a spring and generator. Electricity generated damps the orbital movements of the floats. The forces are non-linear and each float interacts with the others. Tuning to the wave climate is achieved by changing the line lengths, so there is a need to understand the performance trade-offs for a large number of configurations. This requires an efficient, large displacement, multidirectional, multi-body numerical scheme. Results from a 1/25 scale wave basin experiment are described. Here, we show that a time domain linear potential flow formulation (Nemoh, WEC-Sim) can match the tank testing provided that suitably tuned drag coefficients are employed. Inviscid linear potential models can match some wave device experiments; however, additional viscous terms generally provide better accuracy. Scale experiments are also prone to mechanical friction, and we estimate friction terms to improve the correlation further. The resulting error in mean power between numerical and physical models is approximately 10%. Predicted device movement shows a good match. Overall, drag terms in time domain wave energy modelling will improve simulation accuracy in wave renewable energy device design. to understand the performance trade-offs for a large number of configurations. This requires an efficient, large displacement, multidirectional, multi-body numerical scheme. Results from a 1/25 scale wave basin experiment are described. Here, we show that a time domain linear potential flow formulation (Nemoh, WEC-Sim) can match the tank testing provided that suitably tuned drag coefficients are employed. Inviscid linear potential models can match some wave device experiments; however, additional viscous terms generally provide better accuracy. Scale experiments are also prone to mechanical friction, and we estimate friction terms to improve the correlation further. The resulting error in mean power between numerical and physical models is approximately 10%. Predicted device movement shows a good match. Overall, drag terms in time domain wave energy modelling will improve simulation accuracy in wave renewable energy device design.

16 TIDAL AND WAVE POWER↗

Virtual Self-Excited Induction Generator-Based Grid-Forming Inverter Control for Robust Voltage Regulation Under Nonideal Loading

This paper presents a generator-inspired control methodology for grid-forming (GFM) inverters that deliberately emulates a self-excited induction generator so that the inverter can hold its voltage and frequency under difficult loading and severe terminal disturbances across wide voltage and frequency ranges. The design integrates a Lyapunov energy function-based inner loop to provide high bandwidth and strong disturbance rejection, and it complements this with a passivity-based argument that furnishes a coherent large-signal stability guarantee beyond small-signal limits. Analytical insights are developed via the Krylov-Bogoliubov-Mitropolsky averaging method, which reveals an intrinsic resistive droop characteristic; these closed-form relations both explain the observed dynamics and yield simple, decentralized tuning rules. The methodology is validated on a controller-hardware-in-the-loop platform and exercised in real time across balanced, unbalanced, and nonlinear loads, as well as during parallel operation. Across these scenarios, the inverter maintains balanced three-phase voltages, limits harmonic content, settles quickly with well-damped transients, and remains resilient when multiple units operate in parallel. The contributions are a self-excited-machine-inspired GFM controller with enhanced dynamic performance and robustness, a single stability rationale grounded in passivity, closed-form expressions that guide tuning, and comprehensive hardware-in-the-loop validations demonstrating effectiveness and superiority under challenging operating conditions.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Improving the nonlinear control performance of the supply fan at air handling units using a gain scheduling control strategy

Due to its nonlinear nature, the supply fan at air handling units with the controller tuned at the design condition tends to be aggressive and oscillate under partial load conditions. Here, the objective of this paper is to develop and validate a gain scheduling control strategy to improve its nonlinear control performance. First, a control-oriented model, which does not require numerous physical parameters and extensive test data, is developed to study the nonlinearity of the fan system. Based on the theoretical model and experimental verifications, the issue of an aggressive response with a conventional fixed-gain controller is caused by the fact that the system gain is proportional to the ratio of the duct static pressure to the fan speed. To address the issue, a scheduling function of the measurable duct static pressure and fan speed is proposed to be included in the conventional fixed-gain controller to compensate for the fan system gain variation. The gain scheduling control strategy is found to approximately maintain the identical control performance under all operation conditions. Most importantly, the gain scheduling control strategy can be readily implemented without intensive computation and additional measurements, showing a promising potential in industrial applications.

42 ENGINEERING↗

Atomistic modeling of LiF microstructure ionic conductivity and its influence on nucleation and plating

We report the formation and degradation of the solid electrolyte interphase (SEI) and its underlying transport properties play an essential role in the overall performance of lithium-ion batteries. This paper presents classical molecular dynamics studies on polycrystalline inorganic lithium fluoride (LiF) layers to model and predict the SEI transport properties. The ionic conductivity is obtained from the lithium-ion diffusivity in polycrystalline structures of LiF using the Nernst-Einstein relation. The predicted molecular dynamics data are used in a continuum scale phase-field model to evaluate the plating kinetics under fast charging conditions. The analysis emphasizes that the SEI ionic conductivity properties impact the plating dynamics, where SEI's low ion conductivity value is prone to large plating and subsequent capacity degradation. The combination of atomic and continuum scale studies shown herein lays a foundation to tune in SEI transport properties to decrease the amount of lithium plating and improve the performance of fast-charging batteries.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Acoustic cavity technology for high performance injectors

The feasibility of damping more than one mode of rocket engine combustion instability by means of differently tuned acoustic cavities sharing a common entrance was shown. Analytical procedures and acoustic modeling techniques for predicting the stability behavior of acoustic cavity designs in hot firings were developed. Full scale testing of various common entrance, dual cavity configurations, and subscale testing for the purpose of obtaining motion pictures of the cavity entrance region, to aid in determining the mechanism of cavity damping were the two major aspects of the program.

Source record↗

Raising the Asymmetric Catalytic Efficiency of Chiral Covalent Organic Frameworks by Tuning the Pore Environment

Chiral covalent organic frameworks (COFs) hold considerable promise in the realm of heterogeneous asymmetric catalysis. However, fine-tuning the pore environment to enhance both the activity and stereoselectivity of chiral COFs in such applications remains a formidable challenge. In this study, we have successfully designed and synthesized a series of clover-shaped, hydrazone-linked chiral COFs, each with a varying number of accessible chiral pyrrolidine catalytic sites. Remarkably, the catalytic efficiencies of these COFs in the asymmetric aldol reaction between cyclohexanone and 4-nitrobenzaldehyde correlate well with the number of accessible pyrrolidine sites within the frameworks. Further, the COF featuring nearly one pyrrolidine moiety at each nodal point demonstrated excellent reaction yields and enantiomeric excess (ee) values, reaching up to 97 and 83%, respectively. The findings not only underscore the profound impact of a deliberately controlled chiral pore environment on the catalytic efficiencies of COFs but also offer a new perspective for the design and synthesis of advanced chiral COFs for efficient asymmetric catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA Advanced Concepts Office, Earth-To-Orbit Team Design Process and Tools

The Earth-to-Orbit Team (ETO) of the Advanced Concepts Office (ACO) at NASA Marshall Space Flight Center (MSFC) is considered the pre-eminent go-to group for pre-phase A and phase A concept definition. Over the past several years the ETO team has evaluated thousands of launch vehicle concept variations for a significant number of studies including agency-wide efforts such as the Exploration Systems Architecture Study (ESAS), Constellation, Heavy Lift Launch Vehicle (HLLV), Augustine Report, Heavy Lift Propulsion Technology (HLPT), Human Exploration Framework Team (HEFT), and Space Launch System (SLS). The ACO ETO Team is called upon to address many needs in NASA s design community; some of these are defining extremely large trade-spaces, evaluating advanced technology concepts which have not been addressed by a large majority of the aerospace community, and the rapid turn-around of highly time critical actions. It is the time critical actions, those often limited by schedule or little advanced warning, that have forced the five member ETO team to develop a design process robust enough to handle their current output level in order to meet their customer s needs. Based on the number of vehicle concepts evaluated over the past year this output level averages to four completed vehicle concepts per day. Each of these completed vehicle concepts includes a full mass breakdown of the vehicle to a tertiary level of subsystem components and a vehicle trajectory analysis to determine optimized payload delivery to specified orbital parameters, flight environments, and delta v capability. A structural analysis of the vehicle to determine flight loads based on the trajectory output, material properties, and geometry of the concept is also performed. Due to working in this fast-paced and sometimes rapidly changing environment, the ETO Team has developed a finely tuned process to maximize their delivery capabilities. The objective of this paper is to describe the interfaces between the three disciplines used in the design process: weights and sizing, trajectory, and structural analysis. The tools used to perform such analysis are INtegrated Rocket Sizing (INTROS), Program to Optimize Simulated Trajectories (POST), and Launch Vehicle Analysis (LVA) respectively. The methods each discipline uses to streamline their particular part of the design process will also be discussed.

Waters, Eric D.↗

NASA Advanced Concepts Office, Earth-To-Orbit Team Design Process and Tools

The Earth-to-Orbit Team (ETO) of the Advanced Concepts Office (ACO) at NASA Marshall Space Flight Center (MSFC) is considered the pre-eminent "go-to" group for pre-phase A and phase A concept definition. Over the past several years the ETO team has evaluated thousands of launch vehicle concept variations for a significant number of studies including agency-wide efforts such as the Exploration Systems Architecture Study (ESAS), Constellation, Heavy Lift Launch Vehicle (HLLV), Augustine Report, Heavy Lift Propulsion Technology (HLPT), Human Exploration Framework Team (HEFT), and Space Launch System (SLS). The ACO ETO Team is called upon to address many needs in NASA's design community; some of these are defining extremely large trade-spaces, evaluating advanced technology concepts which have not been addressed by a large majority of the aerospace community, and the rapid turn-around of highly time critical actions. It is the time critical actions, those often limited by schedule or little advanced warning, that have forced the five member ETO team to develop a design process robust enough to handle their current output level in order to meet their customer's needs. Based on the number of vehicle concepts evaluated over the past year this output level averages to four completed vehicle concepts per day. Each of these completed vehicle concepts includes a full mass breakdown of the vehicle to a tertiary level of subsystem components and a vehicle trajectory analysis to determine optimized payload delivery to specified orbital parameters, flight environments, and delta v capability. A structural analysis of the vehicle to determine flight loads based on the trajectory output, material properties, and geometry of the concept is also performed. Due to working in this fast-paced and sometimes rapidly changing environment, the ETO Team has developed a finely tuned process to maximize their delivery capabilities. The objective of this paper is to describe the interfaces between the three disciplines used in the design process: weights and sizing, trajectory, and structural analysis. The tools used to perform such analysis are INtegrated Rocket Sizing (INTROS), Program to Optimize Simulated Trajectories (POST), and Launch Vehicle Analysis (LVA) respectively. The methods each discipline uses to streamline their particular part of the design process will also be discussed.

Waters, Eric D.↗

Molecular Doping Increases the Semitransparent Photovoltaic Performance of Dilute Bulk Heterojunction Film with Discontinuous Polymer Donor Networks

The semitransparent and colorful properties of organic solar cells (OSCs) attract intensive academic interests due to their potential application in building integrated photovoltaics, wearable electronics, and so forth. The most straightforward and effective method to tune these optical properties is varying the componential ratio in the blend film. However, the increase in device transmittance inevitably sacrifices the photovoltaic performance because of severe carrier recombination that originates from discontinuous charge-transport networks in the blend film. In this work, a strategy is proposed via the molecular-doping strategy to overcome these shortcomings. It is discovered that p-doping is able to release the trapped holes in segregated polymer domains leading to short-circuit current enhancement, while n-doping is more effective to fill the bandgap states producing a higher fill factor. More importantly, either type of doping improves the photovoltaic performance in the semitransparent photovoltaic devices. These discoveries provide a new pathway to breaking the compromise between the photovoltaic performance and optical transmittance in semitransparent OSCs, and hold promise for their future commercialization.

14 SOLAR ENERGY↗

Model-Based Self-Tuning Multiscale Method for Combustion Control

A multi-scale representation of the combustor dynamics was used to create a self-tuning, scalable controller to suppress multiple instability modes in a liquid-fueled aero engine-derived combustor operating at engine-like conditions. Its self-tuning features designed to handle the uncertainties in the combustor dynamics and time-delays are essential for control performance and robustness. The controller was implemented to modulate a high-frequency fuel valve with feedback from dynamic pressure sensors. This scalable algorithm suppressed pressure oscillations of different instability modes by as much as 90 percent without the peak-splitting effect. The self-tuning logic guided the adjustment of controller parameters and converged quickly toward phase-lock for optimal suppression of the instabilities. The forced-response characteristics of the control model compare well with those of the test rig on both the frequency-domain and the time-domain.

Le, Dzu, K.↗

Barriers to carriers: faults and recombination in non-stoichiometric perovskite scintillators

Abstract Tuning the efficiency and speed of charge carrier recombination in inorganic scintillators can potentially improve their performance in diverse applications. Recent work suggests that this maybe be achieved via a two-phase scintillator AB that naturally phase separates into A -rich and B -rich domains. In addition, a favorable electronic structure and band-edge alignment such that the charge carriers are confined or are thermodynamically driven to preferentially accumulate in one of the two domains, might lead to an improved radiative recombination rate. Here, we use density functional theory computations and ab initio molecular dynamics (AIMD), including non-adiabatic molecular dynamics (NAMD) simulations, to examine an alternative phase structure and its potential impact on recombination. Using a model perovskite SrTiO $$_3$$ 3 system with one-, two- and three-dimensional Ruddlesden–Popper (RP) phases, we demonstrate that RP faults induce band structure changes in the material that can act as barriers to carrier transport. Our AIMD/NAMD simulations indicate competing effects of a lower mean free path (potentially enhancing the desired radiative recombination and overall scintillating efficiency) and faster non-radiative recombination (undesired) due to enhanced electron–phonon coupling in the faulted system. Full exploitation of such a rational design approach would require tuning of the effective scintillation efficiency by varying the perovskite chemistry using appropriate arrangements of RP faults in the bulk material. Finally, other effects, such as the tendency of point defects to segregate at the interface, that might affect the overall performance, are briefly discussed. We expect the basic results found here to apply to other nanostructured scintillators. Graphical Abstract

36 MATERIALS SCIENCE↗

Eutectic Synthesis of the P2-Type Na x Fe 1/2 Mn 1/2 O 2 Cathode with Improved Cell Design for Sodium-Ion Batteries

An engaging area of research in sodium-ion batteries (SIBs) has been focusing on discovery, design, and synthesis of high-capacity cathode materials in order to boost energy density to levels close enough to that of state-of-the-art lithium-ion batteries. Of particular interest, P2-type layered oxide, Na 2/3 Fe 1/2 Mn 1/2 O 2 , has been researched as a potential cathode in SIBs based on its high theoretical capacity of 260 mA h/g and use of noncritical materials. However, the reported synthesis methods are not only complex and energy-demanding but also often yield inhomogeneous and impure materials with capacities less than 200 mA h/g under impractical test conditions. Here, we report a novel synthesis route using low-temperature eutectic reaction to produce highly homogeneous, crystalline, and impurity-free P2-Na x Fe 1/2 Mn 1/2 O 2 with enhanced Na-ion diffusivity and kinetics. The overall electrochemical performances of the Na-ion cells have been improved by pairing the P2-cathode with presodiated hard carbon anodes, leading to reversible capacities in the range of 180 mA h/g. This new approach is a contribution toward the simplification of synthesis and scalability of sodium-based cathodes with high crystallinity and fine-tuned morphology and the realization of a sodium-ion battery system with lower cost and improved electrochemical performance.

25 ENERGY STORAGE↗

A Simple Model for Rotating Detonation Rocket Engine Sizing and Performance Estimates

A Rotating Detonation Rocket Engine (RDRE) model is described which characterizes the device as an essentially infinite number of circumferentially arranged, sequentially firing pulse detonation engine (PDE) tubes. The PDE tubes are in turn treated as lumped-parameter chambers, each of which executes a dynamic (i.e. time dependent) Atkinson cycle with an allowance for a finite Mach number during the refill portion of the cycle. The formulation results in several free parameters which are used to essentially tune the model such that it closely matches higher fidelity computational fluid dynamic RDRE simulations in terms of performance, flow rates, etc. The simplicity of the model allows for straightforward combination with component models (e.g. turbopumps, cooling jackets, etc.) as well as implementation within larger vehicle simulations. Such capability allows for realistic mission analyses and benefits studies which will help to determine the best application for the RDRE concept.

detonation↗

A Simple Model for Rotating Detonation Rocket Engine Sizing and Performance Estimates

A Rotating Detonation Rocket Engine (RDRE) model is described which characterizes the device as an essentially infinite number of circumferentially arranged, sequentially firing pulse detonation engine (PDE) tubes. The PDE tubes are in turn treated as lumped-parameter chambers, each of which executes a dynamic (i.e. time dependent) Atkinson cycle with an allowance for a finite Mach number during the refill portion of the cycle. The formulation results in several free parameters which are used to essentially tune the model such that it closely matches higher fidelity computational fluid dynamic RDRE simulations in terms of performance, flow rates, etc. The simplicity of the model allows for straightforward combination with component models (e.g. turbopumps, cooling jackets, etc.) as well as implementation within larger vehicle simulations. Such capability allows for realistic mission analyses and benefits studies which will help to determine the best application for the RDRE concept.

detonation↗

Multiscale Modeling of Vinyl-Addition Polynorbornenes: The Effect of Stereochemistry

Vinyl-addition polynorbornenes are candidates for designing high-performance polymers due to unique characteristics, which include a high glass transition temperature associated with a rigid backbone. Recent studies have established that the processability and properties of these polymers can be fine-tuned by using targeted substitutions. However, synthesis with different catalysts results in materials with distinct properties, potentially due to the presence of various stereoisomers that are difficult to quantify experimentally. Herein, we develop all-atom models of polynorbornene oligomers based on classical force fields and density functional theory. To establish the relationship between chemical architecture, chain conformations, and melt structure, we perform detailed molecular dynamics simulations with the fine-tuned atomistic force field and propose simpler coarse-grained descriptions to address the high molecular weight limit. All-atom simulations of oligomers suggest high glass transition temperatures in the range of 550–600 K. In the melt state (800 K), meso chains form highly rigid extended coils (C∞≈11) with amorphous structural characteristics similar to the X-ray diffraction data observed in the literature. In contrast, simulations with racemo chains predict highly helical tubular chain conformations that could promote assembly into crystalline structures.

Polymer Science↗

Enhanced Dirac node separation in the strained Cd 3 As 2 topological semimetal

In topological semimetals, nodes appear at symmetry points in the Brillouin zone as a result of band inversion, and yield quasirelativistic massless fermions at low energies. Cd 3 As 2 is a three-dimensional topological semimetal that hosts two Dirac cones responsible for a variety of quantum phenomena. In this work, we demonstrate the strain tuning of the Dirac nodes of Cd 3 As 2 through a combination of magneto-optical infrared spectroscopy and high-resolution x-ray-diffraction studies performed on epitaxial films. In these thin films, we observe a giant enhancement of the node separation in momentum space by close to a factor of 4. A combination of experimental measurements and theoretical modeling allows us to relate the origin of this enhancement to a strengthening of the topological band inversion driven by lattice strain. Finally, our results demonstrate how strain can be used as a knob to tune the topological properties of semimetals and to potentially enhance their performance and response for various applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗