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DOE OSTI2020

Giant Domain Wall Conductivity in Self‐Assembled BiFeO 3 Nanocrystals

Abstract Ever‐increasing demand on electronic devices with ultrahigh‐density non‐volatile data storage has attracted great interest in novel ferroelectric memories based on conductive ferroelectric domain walls. Embedded in an insulating material, ferroelectric domain walls have the capability of being (re)created, displaced, erased, and altered in their spatial configurations and electronic characteristics. However, the domain wall conductivities are in most cases not yet sufficiently high to ensure the current density required to drive read‐out circuits operating at high speeds. In this work, a giant domain wall current (>10 µA) of a single charged domain wall is obtained through conductive atomic force microscopy with a bias field of 4 V. This is achieved in self‐assembled BiFeO 3 nanocrystals grown by sol‐gel method on Nb‐doped SrTiO 3 substrates. Local configurations of domains and domain wall types are studied using vector piezoresponse force microscopy and high‐resolution transmission electronic microscopy. The enhancement of the wall current is shown to be due to the formation of conducting pathways of charged defects accumulated along domain walls and traversing the nanocrystals. The diverse domain walls can be manipulated by electric field in a perpendicular architecture. The perpendicular array structure of BiFeO 3 nanocrystals should have great potentials for developing perpendicular nanoelectronic prototypes.

Liu, Lisha↗

NASA NTRS2014

Variable Acceleration Force Calibration System (VACS)

Conventionally, force balances have been calibrated manually, using a complex system of free hanging precision weights, bell cranks, and/or other mechanical components. Conventional methods may provide sufficient accuracy in some instances, but are often quite complex and labor-intensive, requiring three to four man-weeks to complete each full calibration. To ensure accuracy, gravity-based loading is typically utilized. However, this often causes difficulty when applying loads in three simultaneous, orthogonal axes. A complex system of levers, cranks, and cables must be used, introducing increased sources of systematic error, and significantly increasing the time and labor intensity required to complete the calibration. One aspect of the VACS is a method wherein the mass utilized for calibration is held constant, and the acceleration is changed to thereby generate relatively large forces with relatively small test masses. Multiple forces can be applied to a force balance without changing the test mass, and dynamic forces can be applied by rotation or oscillating acceleration. If rotational motion is utilized, a mass is rigidly attached to a force balance, and the mass is exposed to a rotational field. A large force can be applied by utilizing a large rotational velocity. A centrifuge or rotating table can be used to create the rotational field, and fixtures can be utilized to position the force balance. The acceleration may also be linear. For example, a table that moves linearly and accelerates in a sinusoidal manner may also be utilized. The test mass does not have to move in a path that is parallel to the ground, and no re-leveling is therefore required. Balance deflection corrections may be applied passively by monitoring the orientation of the force balance with a three-axis accelerometer package. Deflections are measured during each test run, and adjustments with respect to the true applied load can be made during the post-processing stage. This paper will present the development and testing of the VASC concept.

Rhew, Ray D.↗

NASA NTRS1973

Thermal expansion method for lining tantalum alloy tubing with tungsten

A differential-thermal expansion method was developed to line T-111 (tantalum - 8 percent tungsten - 2 percent hafnium) tubing with a tungsten diffusion barrier as part of a fuel element fabrication study for a space power nuclear reactor concept. This method uses a steel mandrel, which has a larger thermal expansion than T-111, to force the tungsten against the inside of the T-111 tube. Variables investigated include lining temperature, initial assembly gas size, and tube length. Linear integrity increased with increasing lining temperature and decreasing gap size. The method should have more general applicability where cylinders must be lined with a thin layer of a second material.

Watson, G. K.↗

DOE OSTI2023

Multidimensional visualization of the dynamic evolution of Li metal via in situ/operando methods

The growing demands for high-energy density electrical energy storage devices stimulate the coupling of conversion-type cathodes and lithium (Li) metal anodes. While promising, the use of these “Li-free” cathodes brings new challenges to the Li anode interface, as Li needs to be dissolved first during cell operation. In this study, we have achieved a direct visualization and comprehensive analysis of the dynamic evolution of the Li interface. The critical metrics of the interfacial resistance, Li growth, and solid electrolyte interface (SEI) distribution during the initial dissolution/deposition processes were systematically investigated by employing multidimensional analysis methods. They include three-electrode impedance tests, in situ atomic force microscopy, scanning electrochemical microscopy, and cryogenic scanning transmission electron microscopy. The high-resolution imaging and real-time observations show that a loose, diffuse, and unevenly distributed SEI is formed during the initial dissolution process. This leads to the dramatically fast growth of Li during the subsequent deposition, deviating from Fick’s law, which exacerbates the interfacial impedance. The compactness of the interfacial structure and enrichment of electrolyte species at the surface during the initial deposition play critical roles in the long-term stability of Li anodes, as revealed by operando confocal Raman spectroscopic mapping. In conclusion, our observations relate to ion transfer, morphological and structural evolution, and Li (de)solvation at Li interfaces, revealing the underlying pathways influenced by the initial dissolution process, which promotes a reconsideration of anode investigations and effective protection strategies.

25 ENERGY STORAGE↗

NASA NTRS1994

Quantification of Daily Physical Activity

The influence of physical activity on the maintenance and adaptation of musculoskeletal tissue is difficult to assess. Cumulative musculoskeletal loading is hard to quantify and the attributes of the daily tissue loading history affecting bone metabolism have not been completely identified. By monitoring the vertical component of the daily ground reaction force (GRFz), we have an indirect measure of cumulative daily lower limb musculoskeletal loading to correlate with bone density and structure. The objective of this research is to develop instrumentation and methods of analysis to quantify activity level in terms of the daily history of ground reaction forces.

Whalen, Robert↗

DOE OSTI2020

Calculation of the detonation state of HN 3 with quantum accuracy

HN 3 is a unique liquid energetic material that exhibits ultrafast detonation chemistry and a transition to metallic states during detonation. We combine the Chebyshev interaction model for efficient simulation (ChIMES) many-body reactive force field and the extended-Lagrangian multiscale shock technique molecular dynamics method to calculate the detonation properties of HN 3 with the accuracy of Kohn–Sham density-functional theory. ChIMES is based on a Chebyshev polynomial expansion and can accurately reproduce density-functional theory molecular dynamics (DFT-MD) simulations for a wide range of unreactive and decomposition conditions of liquid HN 3 . We show that addition of random displacement configurations and the energies of gas-phase equilibrium products in the training set allows ChIMES to efficiently explore the complex potential energy surface. Schemes for selecting force field parameters and the inclusion of stress tensor and energy data in the training set are examined. Structural and dynamical properties and chemistry predictions for the resulting models are benchmarked against DFT-MD. We demonstrate that the inclusion of explicit four-body energy terms is necessary to capture the potential energy surface across a wide range of conditions. Our results generally retain the accuracy of DFT-MD while yielding a high degree of computational efficiency, allowing simulations to approach orders of magnitude larger time and spatial scales. The techniques and recipes for MD model creation we present allow for direct simulation of nanosecond shock compression experiments and calculation of the detonation properties of materials with the accuracy of Kohn–Sham density-functional theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Drying of Spent Nuclear Fuel: Considerations and Examples

A recently revised American Society for Testing and Materials consensus standard guide for drying of spent nuclear fuel (SNF) provides considerations and guidance for preparing SNF for its safe storage in a sealed dry storage system. The standard discusses (1) needs for drying, (2) techniques to dry, and (3) demonstration of adequate dryness. No specific approach is prescribed since the effective techniques and needs for drying depend on the specifics of the fuel and dry storage system. Here, this paper discusses these topics using examples for both Zr-alloy-clad commercial SNF and for aluminum-alloy-clad research reactor SNF. Residual water can include free water (liquid and/or vapor), physisorbed water bound to internal surfaces, and chemisorbed water incorporated into surface films, such as (oxy)hydroxides. The potential impacts of these residual waters are corrosion/oxidation, radiolytic breakdown into gaseous and/or reactive species, and canister pressurization. For commercial SNF, inadvertent free water, even up to large amounts (e.g., 10+ mol), is not predicted to cause adverse corrosion degradation, except possible fuel oxidation for breached SNF. For aluminum-clad SNF, the production of radiolytic hydrogen with contribution from the chemisorbed water in its hydrated oxides is a primary consideration. For both SNF systems, canister pressurization is predicted to be well within the canister design, and flammability would not pose a safety concern using an oxygen limit of 5 vol % criterion. (Flammability control can be achieved by limiting either hydrogen or oxygen, and an oxygen limit is expected to be easier to meet in the presence of radiolytic H 2 generation.) The two primary technologies for SNF drying, vacuum drying and forced-gas dehydration, are described herein, and drying tests and campaigns using these methods are cited. Dryness criteria and the methods used to detect and measure residual (free) water are also discussed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2017

Simultaneous Independent Control of Tool Axial Force and Temperature in Friction Stir Processing

Maintaining consistent tool depth relative to the part surface is a critical requirement for many Friction stir processing (FSP) applications. Force control is often used with the goal of obtaining a constant weld depth. When force control is used, if weld temperature decreases, flow stress increases and the tool is pushed up. If weld temperature increases, flow stress decreases and the tool dives. These variations in tool depth and weld temperature cause various types of weld defects. Robust temperature control for FSP maintains a commanded temperature through control of the spindle axis only. Robust temperature control and force control are completely decoupled in control logic and machine motion. This results in stable temperature, force and tool depth despite the presence of geometric and thermal disturbances. Performance of this control method is presented for various weld paths and alloy systems.

force control↗

DOE OSTI2018

A new method for analyzing and visualizing plasma simulations using a phase-space tessellation

We apply a novel phase-space interpolation technique referred to as the simplex-in-cell (SIC) method to analyze two- and three-dimensional particle-in-cell (PIC) simulations of electromagnetic plasmas. SIC relies on a discretization of the initial phase-space distribution function into simplices, which allows an approximation to the full, continuously defined distribution function to be constructed at any later time in the simulation. This allows densities, currents, and even full momentum distribution functions to be measured at any point in the simulation domain without averaging over control volumes. The SIC approach applies to any PIC simulation for which a tessellation of the initial particle distribution can be constructed. In this study, we use outputs from standard PIC simulations of the Weibel instability and compare physical quantities such as charge and current densities calculated in postprocessing using SIC and standard particle deposits. Using 2D simulations with 1–65 536 particles-per-cell, we find that SIC eliminates discrete particle noise and in some cases can reach a given noise level using ~1000 times fewer simulation particles than with standard particle deposition schemes. In regions of low density, such as between current filaments, SIC is able to capture small amplitude features even with fewer particles than gridpoints due to the deformable nature of the SIC volume elements. Here, by calculating momentum distributions, we show how SIC can capture low density tails in the spectrum using far fewer particles than are necessary for standard particle deposits. We calculate the charge density on spatial grids of increasing resolution to demonstrate the ability of SIC to reveal fine-scale details that are not accessible with standard particle deposits. Finally, we show how SIC can be extended to 3D and give an example of its use to calculate the charge density from 3D PIC simulations of the Weibel instability. These results motivate the future implementation of SIC directly in the simulation force calculation for a novel low-noise electromagnetic plasma simulation method.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2016

An Efficient Ray-Tracing Method for Determining Terrain Intercepts in EDL Simulations

The calculation of a ray's intercept from an arbitrary point in space to a prescribed surface is a common task in computer simulations. The arbitrary point often represents an object that is moving according to the simulation, while the prescribed surface is fixed in a defined frame. For detailed simulations, this surface becomes complex, taking the form of real-world objects such as mountains, craters or valleys which require more advanced methods to accurately calculate a ray's intercept location. Incorporation of these complex surfaces has commonly been implemented in graphics systems that utilize highly optimized graphics processing units to analyze such features. This paper proposes a simplified method that does not require computationally intensive graphics solutions, but rather an optimized ray-tracing method for an assumed terrain dataset. This approach was developed for the Mars Science Laboratory mission which landed on the complex terrain of Gale Crater. First, this paper begins with a discussion of the simulation used to implement the model and the applicability of finding surface intercepts with respect to atmosphere modeling, altitude determination, radar modeling, and contact forces influencing vehicle dynamics. Next, the derivation and assumptions of the intercept finding method are presented. Key assumptions are noted making the routines specific to only certain types of surface data sets that are equidistantly spaced in longitude and latitude. The derivation of the method relies on ray-tracing, requiring discussion on the formulation of the ray with respect to the terrain datasets. Further discussion includes techniques for ray initialization in order to optimize the intercept search. Then, the model implementation for various new applications in the simulation are demonstrated. Finally, a validation of the accuracy is presented along with the corresponding data sets used in the validation. A performance summary of the method will be shown using the analysis from the Mars Science Laboratory's terminal descent sensing model. Alternate uses will also be shown for determining horizon maps and orbiter set times.

Shidner, Jeremy D.↗

NASA NTRS1952

Method of analysis for compressible flow through mixed-flow centrifugal impellers of arbitrary design

A method is presented for analysis of the compressible flow between the hub and the shroud of mixed-flow impellers of arbitrary design. Axial symmetry was assumed, but the forces in the meridional (hub to shroud) plane, which are derived from tangential pressure gradients, were taken into account. The method was applied to an experimental mixed-flow impeller. The analysis of the flow in the meridional plane of the impeller showed that the rotational forces, the blade curvature, and the hub-shroud profile can introduce severe velocity gradients along the hub and the shroud surfaces. Choked flow at the impeller inlet as determined by the analysis was verified by experimental results.

Hamrick, Joseph T↗

NASA NTRS2007

Recent NASA Research on Aerodynamic Modeling of Post-Stall and Spin Dynamics of Large Transport Airplanes

A simulation study was conducted to investigate aerodynamic modeling methods for prediction of post-stall flight dynamics of large transport airplanes. The research approach involved integrating dynamic wind tunnel data from rotary balance and forced oscillation testing with static wind tunnel data to predict aerodynamic forces and moments during highly dynamic departure and spin motions. Several state-of-the-art aerodynamic modeling methods were evaluated and predicted flight dynamics using these various approaches were compared. Results showed the different modeling methods had varying effects on the predicted flight dynamics and the differences were most significant during uncoordinated maneuvers. Preliminary wind tunnel validation data indicated the potential of the various methods for predicting steady spin motions.

Murch, Austin M.↗

NASA NTRS1989

An integrated methodology for optimizing structural composite damping

A method is presented for tailoring plate and shell composite structures for optimal forced damped dynamic response. The damping of specific vibration modes is optimized with respect to dynamic performance criteria including placement of natural frequencies and minimization of resonance amplitudes. The structural composite damping is synthesized from the properties of the constituent materials, laminate parameters, and structural geometry based on a specialty finite element. Application studies include the optimization of laminated composite beams and composite shells with fiber volume ratios and ply angles as design variables. The results illustrate the significance of damping tailoring to the dynamic performance of composite structures, and the effectiveness of the method in optimizing the structural dynamic response.

Saravanos, D. A.↗

NASA NTRS1990

An integrated methodology for optimizing the passive damping of composite structures

Saravanos, D. A.↗

NASA NTRS2001

Bioengineered anterior cruciate ligament

The present invention provides a method for producing an anterior cruciate ligament ex vivo. The method comprises seeding pluripotent stem cells in a three dimensional matrix, anchoring the seeded matrix by attachment to two anchors, and culturing the cells within the matrix under conditions appropriate for cell growth and regeneration, while subjecting the matrix to one or more mechanical forces via movement of one or both of the attached anchors. Bone marrow stromal cells are preferably used as the pluripotent cells in the method. Suitable matrix materials are materials to which cells can adhere, such as a gel made from collagen type I. Suitable anchor materials are materials to which the matrix can attach, such as Goinopra coral and also demineralized bone. Optimally, the mechanical forces to which the matrix is subjected mimic mechanical stimuli experienced by an anterior cruciate ligament in vivo. This is accomplished by delivering the appropriate combination of tension, compression, torsion, and shear, to the matrix. The bioengineered ligament which is produced by this method is characterized by a cellular orientation and/or matrix crimp pattern in the direction of the applied mechanical forces, and also by the production of collagen type I, collagen type III, and fibronectin proteins along the axis of mechanical load produced by the mechanical forces. Optimally, the ligament produced has fiber bundles which are arranged into a helical organization. The method for producing an anterior cruciate ligament can be adapted to produce a wide range of tissue types ex vivo by adapting the anchor size and attachment sites to reflect the size of the specific type of tissue to be produced, and also adapting the specific combination of forces applied, to mimic the mechanical stimuli experienced in vivo by the specific type of tissue to be produced. The methods of the present invention can be further modified to incorporate other stimuli experienced in vivo by the particular developing tissue, some examples of the stimuli being chemical stimuli, and electro-magnetic stimuli. Some examples of tissue which can be produced include other ligaments in the body (hand, wrist, elbow, knee), tendon, cartilage, bone, muscle, and blood vessels.

Altman, Gregory↗

NASA NTRS2003

The Cytoskeleton and Force Response Mechanisms

The long term aim of this project was to define the mechanisms by which cells sense and respond to the physical forces experienced at 1g and missing in microgravity. Identification and characterization of the elements of the cells force response mechanism could provide pathways and molecules to serve as targets for pharmacological intervention to mitigate the pathologic effects of microgravity. Mechanical forces experienced by the organism can be transmitted to cells through molecules that allow cells to bind to the extracellular matrix and through other types of molecules which bind cells to each other. These molecules are coupled in large complexes of proteins to structural elements such as the actin cytoskeleton that give the cell the ability to sense, resist and respond to force. Application of small forces to tissue culture cells causes local elevation of intracellular calcium through stretch activated ion channels, increased tyrosine phosphorylation and a restructuring of the actin cytoskeleton. Using collagen coated iron oxide beads and strong magnets, we can apply different levels of force to cells in culture. We have found that force application causes the cells to polymerize actin at the site of mechanical deformation and unexpectedly, to depolymerize actin across the rest of the cell. Observations of GFP- actin expressing cells demonstrate that actin accumulates at the site of deformation within the first five minutes of force application and is maintained for many tens of minutes after force is removed. Consistent with the reinforcement of the cytoskeletal structures underlying the integrin-bead interaction, force also alters the motion of bound magnetic beads. This effect is seen following the removal of the magnetic field, and is only partially ablated by actin disruption with cytochalsin B. While actin is polymerizing locally at the site of force application, force also stimulates a global reduction in actin filament content within the cells. We have examined the roles of several actin filament disassembly factors in the global reduction of cellular actin filaments. The calcium regulated actin filament severing protein gelsolin is not necessary for the increased actin turnover, as cells derived from gelsolin null and wildtype mice still show a reduction in total actin filament content. Instead, our work suggests that the actin binding protein cofilin may be important for these changes in actin dynamics. Cofilin binds to and enhances the disassembly of actin filaments. Using immunological methods, we observe transient changes in the phosphorylation state of cofilin upon force application that suggests that cofilin may mediate actin filament turnover. Early after force application, cofilin is transiently dephosphorylated, activating its actin disassembly activity. Subsequently, we find a hyper-phosphorylation of cofilin, rendering it inactive. This reduction in cofilin activity may explain the stability of the force induced actin structuttes. In testing this hypothesis, we aimed to generate cells that express the constituitively active kinase (LIM-kinase) that phosphorylates cofilin. lnidial attempts in the cell lines used for the our previous studies proved unsuccessful. While we prepare this work for pubication, we are continuing to study other cell lines and tissue sources to determine whether they show a reduction in F-actin content after force application.

Allen, Philip Goodwin↗

DOE OSTI2018

Amplification of biological targets via on-chip culture for biosensing

The present invention, in part, relates to methods and apparatuses for on-chip amplification and/or detection of various targets, including biological targets and any amplifiable targets. In some examples, the microculture apparatus includes a single-use, normally-closed fluidic valve that is initially maintained in the closed position by a valve element bonded to an adhesive coating. The valve is opened using a magnetic force. The valve element includes a magnetic material or metal. Such apparatuses and methods are useful for in-field or real-time detection of targets, especially in limited resource settings.

47 OTHER INSTRUMENTATION↗

DOE OSTI2018

Amplification of biological targets via on-chip culture for biosensing

59 BASIC BIOLOGICAL SCIENCES↗

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