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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.

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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Controlling protein adsorption modes electrostatically

Protein adsorption on surfaces is ubiquitous in biology and in biotechnology. There are various forces required for controlling protein adsorption. Here, we introduce an explicit ion coarse-grained molecular dynamics simulation approach for studying the effects of electrostatics on protein adsorption, and 2D protein assembly on charged surfaces. Our model accounts for the spatial distribution of protein charges. We use catalase as our model protein. We find that the preferential adsorption mode of proteins at low protein concentration on a charged surface is “standing up”. When the protein concentration in a solution increases to reach a critical density on the surface, the adsorption mode switches from “standing up” to a mixed state “flat on” and “standing up”, which increases the lateral correlations among the adsorbed proteins. As such, the changes in the adsorption mode arise from the protein adsorption that cancel the surface charge and the protein–protein repulsion. This correlated surface structure melts as the salt concentration increases because the charged surface is cancelled by the salt ions and the proteins de-adsorb. For the case of strongly charged surfaces the “standing up” conformation remains more favorable even at high protein adsorption at low salt concentrations since in that conformation the surface charge is cancelled more effectively, generating an even more laterally correlated structure. We elucidate the effects of parameters such as surface charge density, salt concentration, and protein charges on the different adsorption modes and the structure and organization of proteins on the charged surfaces. Finally, this study provides a guide for controlling protein assembly on surfaces.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Anthropogenic–biogenic interaction amplifies warming from emission reduction over the southeastern US

A decline of surface biogenic secondary organic aerosols through the mediation of reduced anthropogenic aerosols has been recognized as an air quality co-benefit of anthropogenic emission control over the southeastern US. However, the climate impacts of this anthropogenic–biogenic interaction remain poorly understood. Here, we identified a substantial decline of summertime aerosol loading aloft over the southeastern US in recent decades through the interaction, which leads to a stronger decline in column-integrated aerosol optical depth and a greater increase in radiative fluxes over the southeastern than northeastern US, different from trends of anthropogenic emissions and near-surface aerosol loading. The anthropogenic–biogenic interaction is shown to explain more than 60% of the coherent increasing trend of 5.3 Wm -2 decade -1 in clear-sky surface downward radiative fluxes. We show that current climate models fail to represent this interaction. The interaction is further projected to amplify the positive radiative forcing from emission control by 42.3% regionally over the southeastern US and globally by 5.4% in 2050 under RCP4.5 compared to 2005. This amplification effect implies greater challenges to achieving the Paris Agreement temperature targets with continuous emission control in future.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Atomic force microscopy and scanning electron microscopy characterization of the controlling of surface morphology of epoxy‐amine‐cured spin‐coated films

Abstract Atomic force microscopy (AFM) was successfully used to study spin‐coated, amine‐cured epoxy film microstructure and morphology. The air‐epoxy and epoxy‐substrate interfaces were examined using tapping‐mode height and phase imaging AFM. The impact of relative humidity on the morphology and microstructure of the surfaces was determined. AFM was able to elucidate the changes on the surface as relative humidity during processing increased. It was observed that large nodular formations formed on the epoxy surface expose to the air but not epoxy surface formed on the substrate in addition to varying regions of more or less compliant structures, which was attributed to carbamate formation caused by the amine curing agent reaction with atmospheric CO 2 . Scanning electron microscopy (SEM) was used to further elucidate interface and interphase morphology of spin‐coated epoxies. Experimentation also demonstrated that post‐curing above the glass transition did not change the morphology structure, suggesting surface structures are “locked‐in.” SEM was used to further elucidate how the interface and interphase change with changing environmental conditions at both the air‐epoxy and epoxy‐substrate interface/interphases, including the impact of atmospheric CO 2 on Marangoni cell formation.

Shenk, Timothy M.↗
DOE OSTI2022

Accelerated Wind-Turbine Wake Recovery Through Actuation of the Tip-Vortex Instability

Advances in wind-plant control have often focused on more effectively balancing power between neighboring turbines. Wake steering is one such method that provides control-based improvements in a quasi-static way, but this does little to fundamentally change the wake recovery process, and thus, it has limited potential. This study investigates use of another control paradigm known as dynamic wake control (DWC) to excite the mutual inductance instability between adjacent tip-vortex structures, thereby accelerating the breakdown of the structures. The current work carries this approach beyond the hypothetical by applying the excitation via turbine control vectors that already exist on all modern wind turbines: blade pitch and rotor speed control. The investigation leverages a free-vortex wake method (FVWM) that allows a thorough exploration of relevant frequencies and amplitudes of harmonic forcing for each control vector (as well as the phase difference between the vectors for a tandem configuration) while still capturing the essential tip-vortex dynamics. The FVWM output feeds into a Fourier stability analysis working to pinpoint candidate DWC strategies suggesting fastest wake recovery. Near-wake length reductions of >80% are demonstrated, although without considering inflow turbulence. Analysis is provided to interpret these predictions considering the presence of turbulence in a real atmospheric inflow.

17 WIND ENERGY↗
DOE OSTI2021

Optimal dynamic control for a maglev vehicle moving on multi-span guideway girders

Abstract An optimal control algorithm using a virtual tuned mass damper called virtual TMD to control the levitation force of a magnetic system is developed for resonance suppression of a maglev vehicle moving on multi-span guideway girders. Since the optimal dynamic parameters of a TMD in vibration control are well developed, the optimal tuning gains required to control the magnetic oscillations of the maglev bogie can be directly used and fed back to the maglev control system. To address the dynamic interaction analysis from the maglev vehicle to the guideway girders and vice versa, the entire coupling system is decomposed into two subsystems, one is the moving vehicle subsystem and another the stationary guideway subsystem. Then, an incremental–iterative procedure associated with the Newmark method is presented to solve the two sets of subsystem equations. Finally, the control effectiveness and parametric studies of the optimal virtual TMD scheme on resonance reduction of the moving maglev vehicle are demonstrated.

Liu, Linya↗
DOE OSTI2020

Parallel-in-Time Simulation of Lindblad's Equation

Constructing fast quantum logic gates is critical to building a scalable quantum computer. We consider a qudit, a quantum version of a bit that can take an arbitrary number of states, coupled with a cavity. In this project, we wish to force the qudit to reach the 0-state, for any possible initial state. The coupled system changes in time according to Lindblad’s equation, an ordinary differential equation on the density matrix of the quantum system. Lindblad’s equation contains some parameters that we can control, so-called control functions. We seek control functions which force the qudit to the 0-state within 2 microseconds, which is much faster than what is currently done in practice. The search method is gradient descent, a numerical optimization method that uses gradient information to iteratively improve the control parameters. My contribution to this project is an attempt to speed up the computation of the gradient. It currently takes about 40 seconds to compute the gradient which involves solving a set of ODEs sequentially. Current supercomputers have thousands of cores, but sequential computations can only make use of 1 core at a time. We wish to divide up the work better, so that we can use many more cores at once. To this end, we have implemented the Multigrid Reduction in Time (MGRIT) algorithm. We perform a systematic parameter search on how to best apply this algorithm. Results indicate a 25 percent speed up for solving Lindblad’s equation and determining how close the final state is the 0-state.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Insights on the Effects of Magnetic Forces on the Efficiency of Vibration Energy Harvesting Absorbers in Controlling Dynamical Systems

This study investigates the effects of magnetic constraints on a piezoelectric energy harvesting absorber while simultaneously controlling a primary structure and harnessing energy. An accurate forcing representation of the magnetic force is investigated and developed. A reduced-order model is derived using the Euler–Lagrange principle, and the impact of the magnetic force is evaluated on the absorber’s static position and coupled natural frequency of the energy harvesting absorber and the coupled primary absorber system. The results show that attractive magnet configurations cannot improve the system substantially before pull-in occurs. A rigorous eigenvalue problem analysis is performed on the absorber’s substrate thickness and tip mass to effectively design an energy harvesting absorber for multiple initial gap sizes for the repulsive configurations. Then, the effects of the forcing amplitude on the primary structure absorber are studied and characterized by determining an effective design of the system for a simultaneous reduction in the primary structure’s motion and improvement in the harvester’s efficiency.

42 ENGINEERING↗
DOE OSTI2024

Embedded Fluidic Sensing and Control with Soft Open‐Cell Foams

Abstract The synthesis of soft matter intelligence with circuit‐driven logic has enabled a new class of robots that perform complex tasks or conform to specialized form factors in unique ways that cannot be realized through conventional designs. Translating this hybrid approach to fluidic systems, the present work addresses the need for sheet‐based circuit materials by leveraging the innate porosity of foam—a soft material—to develop pneumatic components that support digital logic, mixed‐signal control, and analog force sensing in wearables and soft robots. Analytical tools and experimental techniques developed in this work serve to elucidate compressible gas flow through porous sheets, and to inform the design of centimeter‐sized foam resistors with fluidic resistances on the order of 10 9 Pa s m −3 . When embedded inside soft robots and wearables, these resistors facilitate diverse functionalities spanning both sensing and control domains, including digital logic using textile logic gates, digital‐to‐analog signal conversion using ladder networks, and analog sensing of forces up to 40 N via compression‐induced changes in resistance. By combining features of both circuit‐based and materials‐based approaches, foam‐enabled fluidic circuits serve as a useful paradigm for future hybrid robotic architectures that fully embody the sensing and computing capabilities of soft fluidic materials.

Rajappan, Anoop↗
DOE OSTI2022

Proposed Products to Support Shelter-Evacuation Decision Making in the Event of a Nuclear Detonation

Response strategies implemented in the first few hours to days after a nuclear detonation on the US homeland may save more than 100,000 lives. Effective planning and pre-event capability development can increase the response efficacy and so the number of lives saved. During such an event, the US Department of Defense, Joint Task Force Civil Support (DoD JTF-CS) provides command and control for the DoD forces supporting civil authority response operations. Among other activities, JTF-CS expects to support FEMA as well as State and local agencies in shelter and evacuation response activities. JTF-CS currently uses a manual method to generate evacuation decision making products. This method compares the dose that would be (a) acquired remaining at a given location to that (b) acquired during evacuation along a small number of routes. In these products, evacuation may be warranted when the projected “remain” dose is greater than the “evacuate” dose. This method only provides a limited consideration of the protection buildings provide their occupants. To inform the JTF-CS nuclear detonation response, the DoD Defense Threat Reduction Agency (DTRA) has tasked Lawrence Livermore National Laboratory (LLNL) to design a set of planning and response products to support shelter-evacuation activities. This report documents these products to facilitate DTRA and JTF-CS planning efforts. To provide context, we also provide appendices that summarize US planning guidance response zones, early (<72 h) response strategies, and other key topics.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2024

Adaptive nonequilibrium design of actin-based metamaterials: Fundamental and practical limits of control

The adaptive and surprising emergent properties of biological materials self-assembled in far-from-equilibrium environments serve as an inspiration for efforts to design nanomaterials. In particular, controlling the conditions of self-assembly can modulate material properties, but there is no systematic understanding of either how to parameterize external control or how controllable a given material can be. Here, we demonstrate that branched actin networks can be encoded with metamaterial properties by dynamically controlling the applied force under which they grow and that the protocols can be selected using multi-task reinforcement learning. These actin networks have tunable responses over a large dynamic range depending on the chosen external protocol, providing a pathway to encoding “memory” within these structures. Interestingly, we obtain a bound that relates the dissipation rate and the rate of “encoding” that gives insight into the constraints on control—both physical and information theoretical. Taken together, these results emphasize the utility and necessity of nonequilibrium control for designing self-assembled nanostructures.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Exploring Domain-Wall Pinning in Ferroelectrics via Automated High-Throughput Atomic Force Microscopy

Domain-wall dynamics in ferroelectric materials are strongly position-dependent, since each polar interface is locked into a unique local microstructure. This necessitates spatially resolved studies of wall pinning using scanning-probe microscopy techniques. The pinning centers and pre-existing domain walls are usually sparse within the image plane, precluding the use of dense hyperspectral imaging modes and requiring time-consuming human experimentation. Here, a large-area epitaxial PbTiO 3 film on cubic KTaO 3 was investigated to quantify the electric-field-driven dynamics of the polar–strain domain structures using ML-controlled automated piezoresponse force microscopy. Analysis of 1500 switching events reveals that domain-wall displacement depends not only on field parameters but also on the local ferroelectric–ferroelastic configuration. For example, twin boundaries in polydomains regions, like a 1 – /c+ ∥ a 2 – /c – , stay pinned up to a certain level of bias magnitude and change only marginally as the bias increases from 20 to 30 V, whereas single-variant boundaries, like the a 2 + /c + ∥ a 2 – /c – stack, are already activated at 20 V. These statistics on the possible ferroelectric and ferroelastic wall orientations, together with the automated high-throughput AFM workflow, can be distilled into a predictive map that links domain configurations to pulse parameters. Here, this microstructure-specific rule set forms the foundation for the design of ferroelectric memories.

automated scanning probe microscopy↗
DOE OSTI2022

Multichannel haptic feedback unlocks prosthetic hand dexterity

Abstract Loss of tactile sensations is a major roadblock preventing upper limb-absent people from multitasking or using the full dexterity of their prosthetic hands. With current myoelectric prosthetic hands, limb-absent people can only control one grasp function at a time even though modern artificial hands are mechanically capable of individual control of all five digits. In this paper, we investigated whether people could precisely control the grip forces applied to two different objects grasped simultaneously with a dexterous artificial hand. Toward that end, we developed a novel multichannel wearable soft robotic armband to convey artificial sensations of touch to the robotic hand users. Multiple channels of haptic feedback enabled subjects to successfully grasp and transport two objects simultaneously with the dexterous artificial hand without breaking or dropping them, even when their vision of both objects was obstructed. Simultaneous transport of the objects provided a significant time savings to perform the deliveries in comparison to a one-at-a-time approach. This paper demonstrated that subjects were able to integrate multiple channels of haptic feedback into their motor control strategies to perform a complex simultaneous object grasp control task with an artificial limb, which could serve as a paradigm shift in the way prosthetic hands are operated.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Maximizing the Use of Ductless Mini-Splits in Homes with Existing Central or Zonal Heating and Cooling Equipment

In the residential retrofit application, ductless mini-split heat pumps (DHP) are often reported to hold high-energy savings potential, depending on the system they are supplementing or replacing. However, of late, there have been a number of studies and analyses indicating these energy savings are not being achieved. The primary goal of this project was to determine the most cost effective (lowest cost for the most energy saved) and persistent (e.g. automated, hard to change, etc.) solution for controlling a ductless heat pump in an existing home with central forced air furnace. Various control strategies were tested at the Pacific Northwest National Laboratory Lab Homes to compare the energy savings between the different energy efficient control strategies. A maximum of 40% energy savings was realized by using the ductless mini-split as the primary heat source with the central air conditioning unit as the secondary source.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Applying Dynamic Strain on Thin Oxide Films Immobilized on a Pseudoelastic Nickel-Titanium Alloy

Direct alteration of materials structure/function through strain is a burgeoning area of research that has allowed for novel properties of materials to emerge. Tuning materials structure can be achieved by controlling an external force imposed on materials and inducing stress-strain responses (i.e., applying dynamic strain). Electroactive thin films are typically deposited on shape or volume tunable elastic substrates, where mechanical loading (i.e. compression or tension) can affect films structure and function through imposed strain. Here we summarize methods for straining n-type doped titanium dioxide (TiO2) films prepared by a thermal treatment of a pseudo-elastic nickel-titanium alloy. The main purpose of the described methods is to study how strain affects electrocatalytic activities of metal oxide, specifically hydrogen evolution and oxygen evolution reactions. The same system can be adapted to study the effect of strain more broadly. Strain engineering can be applied for optimization of a material function, as well as for design of adjustable, multifunctional (photo)electrocatalytic materials under external stress control.

92 SC - Basic Energy Sciences (BES) (SC-22)↗
DOE OSTI2021

Oxygen Vacancy Injection as a Pathway to Enhancing Electromechanical Response in Ferroelectrics

Since their discovery in late 1940s, perovskite ferroelectric materials have become one of the central objects of condensed matter physics and materials science due to the broad spectrum of functional behaviors they exhibit, including electro-optical phenomena and strong electromechanical coupling. In such disordered materials, the static properties of defects such as oxygen vacancies are well explored but the dynamic effects are less understood. In this work, the first observation of enhanced electromechanical response in BaTiO3 thin films is reported driven via dynamic local oxygen vacancy control in piezoresponse force microscopy (PFM). A persistence in peizoelectricity past the bulk Curie temperature and an enhanced electromechanical response due to a created internal electric field that further enhances the intrinsic electrostriction are explicitly demonstrated. The findings are supported by a series of temperature dependent band excitation PFM in ultrahigh vacuum and a combination of modeling techniques including finite element modeling, reactive force field, and density functional theory. Furthermore, this study shows the pivotal role that dynamics of vacancies in complex oxides can play in determining functional properties and thus provides a new route toward– achieving enhanced ferroic response with higher functional temperature windows in ferroelectrics and other ferroic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Field‐Induced Ferroelectric Phase Evolution During Polarization “Wake‐Up” in Hf 0.5 Zr 0.5 O 2 Thin Film Capacitors

Abstract As an emerging nonvolatile memory technology, HfO 2 ‐based ferroelectrics exhibit excellent compatibility with silicon CMOS process flows; however, the reliability of polarization switching in these materials remains a major challenge. During repeated field programming and erase of the polarization state of initially pristine HfO 2 ‐based ferroelectric capacitors, the magnitude of the measured polarization increases, a phenomenon known as “wake‐up”. In this study, the authors attempt to understand what causes the wake‐up effect in Hf 0.5 Zr 0.5 O 2 (HZO) capacitors using nondestructive methods that probe statistically significant sample volumes. Synchrotron X‐ray diffraction reveals a concerted shift in HZO Bragg peak position as a function of polarization switching cycle number in films prepared under conditions such that they exhibit extremely large (≈3000%) wake‐up. In contrast, a control sample with insignificant wake‐up shows no such peak shift. Capacitance – voltage measurements show evolution in the capacitance loop with switching cycle number for the wake‐up sample and no change for the control sample. Piezoresponse force microscopy measurements are utilized to visualize the domain switching with wake‐up. The combination of these observations clearly demonstrates that wake‐up is caused by a field‐driven phase transformation of the tetragonal phase to the metastable ferroelectric orthorhombic phase during polarization switching of HZO capacitors.

36 MATERIALS SCIENCE↗
DOE OSTI2023

High speed butt joining of 1” thick 2139-T8

Thick plate (=1”) butt joining of Al alloys is challenging due to high tool forces, uneven material flow, and heat distribution in the through-thickness direction. Tool design and welding parameters used for executing thick plate butt joining have remained mostly static over the past decade. Reported welding speeds that produce viable joint strength (mostly on 6xxx alloys) typically range below 100 mm/min (4inches /min). Researchers at Pacific Northwest National Laboratory (PNNL) in association with Ground Vehicle Systems Center (US Army GVSC) have been working to demonstrate greater joining efficiency at higher welding speeds in a 1” thick AA2139-T8 plate. Using innovative tool features and effective force and temperature control a joint efficiency of 80% was demonstrated at a welding speed of 7 inches /min (178mm/min).

Das, Hrishikesh↗
DOE OSTI2025

Linear Reciprocating Tribometer for In Situ Neutron Reflectometry of Soft Matter

Neutron reflectometry is a technique for measuring structure near planar interfaces that has been previously used to non-destructively characterize the polymer density of hydrated, dilute, and soft materials. Previous investigations have conducted neutron reflectometry measurements of liquids, gels, emulsion, and polymer solutions at rest, in compression, and subject to shear stress. However, correlating structure with tribological properties of soft materials presents significant experimental challenges for prior instruments due to wall slip, sample thickness, and structural heterogeneity (e.g., depth-wise gradients). A linear reciprocating tribometer offers several advantages for in situ neutron reflectometry studies, including uniform velocity profiles, constant shear stress over large regions of interest, and independent control of normal force and sliding velocity during measurements. This work outlines basic considerations for the design of a custom linear reciprocating tribometer that operates in a neutron beamline and includes commissioning measurements. The tribometer is designed to compress soft and hydrated materials against linearly reciprocating silicon disks. The three key design considerations for this tribometer are (1) safety, (2) neutron transmission, and (3) sample positioning. This instrument design will enable in situ studies of soft matter and illuminate the role of interfacial structure on tribological phenomena.

42 ENGINEERING↗