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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Ion-beam-assisted growth of cesium-antimonide photocathodes

We report on the novel use of a Cs+ ion gun for an ion-beam-assisted molecular-beam-epitaxy (IBA-MBE) method to sequentially deposit Cs-Sb cathodes on room temperature substrates as opposed to the standard technique of thermal evaporation on elevated-temperature substrates. The details of the ultrahigh-vacuum chamber, the Cs+ ion source, and the growth technique are elaborated. The final quantum efficiency (QE) is reasonably good for Cs-Sb cathodes grown on two different substrates—Si (100) and strontium titanate—and is comparable to the QE of cathodes grown using thermal sources. This suggests that IBA-MBE could be a viable alternative to grow alkali-antimonides without substrate heating, paving the way for the growth of epitaxial alkali-antimonides in a more reproducible fashion, which may help improve the efficiency of photon detectors and accelerator applications that use alkali-antimonides as electron sources.

Engineering↗
DOE OSTI2021

Electromechanical response of piezoelectric thin films subjected to large strain

The use of piezoelectric thin sensors, when subjected to large static strain levels in ultrasonic applications is reported in this paper. A novel flipped beam bending method is proposed to induce static strain level nearing twice the incipient yield strain in the beam material (~0.39%). First, the effect of static large strain on ultrasonic guided wave propagation in the beam was studied using the velocity measurements obtained from a laser Doppler vibrometer. Next, the ultrasonic response of thin sensors is studied under compressive and tensile static strain (±0.72%) with the sensors symmetrically bonded on the lower and upper surfaces, and at the same axial location. The ultrasonic guided wave response to varying levels of static strain is recorded at different center frequencies (50–400 kHz) of the narrow banded ultrasonic excitation. As a case study, the variation of the ultrasonic guided wave response of polyvinylidene difluoride (PVDF) thin sensors with center frequencies at different static strain levels was analyzed and compared with that of lead zirconate titanate (PZT) thin sensors. PZT sensors show a higher variation of sensing performance with strain when compared to PVDF sensors. Apart from static strain, the possible effects on the change in performance of sensors, such as the change in the capacitance is discussed. The characterization method provides a reusable beam arrangement to study the ultrasonic sensor performance at large static strain levels. Characterization at large strain level allows the development of fail-safe sensors even under large strain and permanent plastic deformation of structure on which they are bonded, allowing accurate ultrasonic structural health monitoring even in the presence of damage progression. Piezopolymer sensor like PVDF are least susceptible to static strain due to large yield strain and low modulus and can serve as fail-safe sensors under large strain.

Rathod, Vivek↗
DOE OSTI2023

A Versatile Fiber Coating Process for Efficient Fabrication of Multifunctional Composites

The objective of this research is to demonstrate the versatility of a dip coating process for the efficient integration of piezoelectric barium titanate (BaTiO3) microparticles on a wide variety of fibers to design passive self-sensing composites. The microparticles were deposited on glass, aramid, and basalt fiber weaves through the proposed dip coating technique. A computational framework is established to predict the deposition thickness on the fiber surfaces from the given microparticle concentration, size, coating velocity, and coating fluid viscosity. The deposition quality assessment was performed through scanning electron microscope imaging and subsequent image analysis. BaTiO3-coated fibers were directly used in composite preparation. After fabrication, the BaTiO3-enhanced composites were subjected to high-voltage poling. Finally, their passive self-sensing properties were characterized through experimental studies. The results show the adaptability of the proposed coating process to integrate BaTiO3 microparticles within different types of fiber-reinforced composites enabling passive self-sensing to attain subsurface damage characterization.

Gupta, Sumit↗
DOE OSTI2024

Multiscale modeling-enabled design of multifunctional composites

This study aims to create a comprehensive model that considers multiple scales and physics for predicting the electromechanical behavior of fiber-reinforced composites enhanced with barium titanate (BaTiO3). In our earlier work, we have demonstrated that depositing BaTiO3 microparticles of 200-nm-diameter, on fiber surfaces during fiber-reinforced composite fabrication enhances mechanical strength, passive self-sensing, and energy harvesting properties. The key is to carefully control the microparticle concentration to prevent agglomeration. Since the particles are micron-sized, understanding how agglomeration affects the composites' electromechanical properties is crucial for guiding such multifunctional materials’ design. This study introduces a micromechanics-based approach to explore the impact of microparticle dispersion on the bulk composites' electromechanical properties. Insights gained from this investigation are applied in experiments, enabling accurate predictions of mechanical and self-sensing responses in BaTiO3-enhanced fiber-reinforced composites. Micro-level findings from this computational approach can be integrated into larger continuum models to comprehensively capture the electromechanical behavior of the composite structures at bulk scale. The proposed model is validated by comparing predictions with experimental results, accounting for the nonlinear mechanical and electromechanical behaviors of constituent materials. Consequently, this computational model serves as a digital platform for efficiently designing multifunctional composites.

Gupta, Sumit↗
DOE OSTI2025

Tensile and fatigue characterization of multifunctional composites

This research is part of a larger effort to develop advanced self-sensing multifunctional polymer composites that are both lightweight and high-strength, while also enabling structural damage detection, fatigue cycle monitoring, and service life prediction. These multifunctional composites are particularly sought after in the automotive industry for their potential to significantly reduce vehicle weight and simultaneously provide additional functionality like condition monitoring to enhance safety. This study examines the tensile and fatigue properties of a composite material composed of acrylonitrile butadiene styrene (ABS) polymer embedded with piezoelectric barium titanate (BaTiO3) nanoparticles. The integration of BaTiO3 nanoparticles not only supplies the material with self-sensing capabilities but also influences its mechanical properties. While a high content of BaTiO3 nanoparticles is desired to enhance sensing capacity, the brittle nature of such materials causes concerns of decreased strength characteristics. To explore this, various composite samples were fabricated with nanoparticle contents ranging from 0 wt% to 20 wt%. These samples underwent tensile testing to measure their ultimate tensile strengths and Young’s moduli. Following this, fatigue tests were conducted to generate S-N curves, which are essential for understanding the material's durability under cyclic loading. The findings from these tests assess the impact of nanoparticle content on the composite’s tensile strength and fatigue life, providing essential insights that can guide the optimization and design of future self-sensing multifunctional composites. The results suggest that 5 wt% BaTiO3 provides an optimal balance between mechanical properties and nanoparticle concentration, making it a promising composition for semi-structural applications.

Bowland, Christopher [ORNL] (ORCID:000000021229431↗
DOE OSTI2024

Enabling resonant ultrasound spectroscopy in high magnetic fields

Resonant ultrasound spectroscopy (RUS) is a powerful method to determine elastic constants with high accuracy and precision from a single measurement of the mechanical resonances of a sample. Conventionally, the quantitative extraction of elastic moduli with RUS assumes free boundary conditions which can often lead to the adoption of unstable sample positioning between ultrasonic transducers that is incompatible with extreme environments like high magnetic fields. We show that, under specific conditions, introducing a small amount of adhesive between a RUS sample and ultrasonic transducers introduces a perturbation to the free resonance condition which can be accounted for by a simple model. This means elastic constants can be determined to within the uncertainty of conventional RUS, but with significant improvements including sample stability and control of sample orientation. We demonstrate the efficacy of this approach with measurements on a range of materials including room temperature measurements on polycrystalline metals, temperature-dependent measurements of the structural phase transition in strontium titanate single crystals, and magnetic field-dependent measurements of magnetic phase transitions in gadolinium polycrystals up to 14 T.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Electronically reconfigurable complex oxide heterostructure freestanding membranes

In recent years, lanthanum aluminate/strontium titanate (LAO/STO) heterointerfaces have been used to create a growing family of nanoelectronic devices based on nanoscale control of LAO/STO metal-to-insulator transition. The properties of these devices are wide-ranging, but they are restricted by nature of the underlying thick STO substrate. Here, single-crystal freestanding membranes based on LAO/STO heterostructures were fabricated, which can be directly integrated with other materials via van der Waals stacking. The key properties of LAO/STO are preserved when LAO/STO membranes are formed. Conductive atomic force microscope lithography is shown to successfully create reversible patterns of nanoscale conducting regions, which survive to millikelvin temperatures. The ability to form reconfigurable conducting nanostructures on LAO/STO membranes opens opportunities to integrate a variety of nanoelectronics with silicon-based architectures and flexible, magnetic, or superconducting materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Exploring far-from-equilibrium ultrafast polarization control in ferroelectric oxides with excited-state neural network quantum molecular dynamics

Ferroelectric materials exhibit a rich range of complex polar topologies, but their study under far-from-equilibrium optical excitation has been largely unexplored because of the difficulty in modeling the multiple spatiotemporal scales involved quantum-mechanically. To study optical excitation at spatiotemporal scales where these topologies emerge, we have performed multiscale excited-state neural network quantum molecular dynamics simulations that integrate quantum-mechanical description of electronic excitation and billion-atom machine learning molecular dynamics to describe ultrafast polarization control in an archetypal ferroelectric oxide, lead titanate. Far-from-equilibrium quantum simulations reveal a marked photo-induced change in the electronic energy landscape and resulting cross-over from ferroelectric to octahedral tilting topological dynamics within picoseconds. The coupling and frustration of these dynamics, in turn, create topological defects in the form of polar strings. The demonstrated nexus of multiscale quantum simulation and machine learning will boost not only the emerging field of ferroelectric topotronics but also broader optoelectronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Control of polarization in bulk ferroelectrics by mechanical dislocation imprint

Defects are essential to engineering the properties of functional materials ranging from semiconductors and superconductors to ferroics. Whereas point defects have been widely exploited, dislocations are commonly viewed as problematic for functional materials and not as a microstructural tool. In this work, we developed a method for mechanically imprinting dislocation networks that favorably skew the domain structure in bulk ferroelectrics and thereby tame the large switching polarization and make it available for functional harvesting. The resulting microstructure yields a strong mechanical restoring force to revert electric field–induced domain wall displacement on the macroscopic level and high pinning force on the local level. This induces a giant increase of the dielectric and electromechanical response at intermediate electric fields in barium titanate [electric field–dependent permittivity (ε 33 ) ≈ 5800 and large-signal piezoelectric coefficient ( d 33 *) ≈ 1890 picometers/volt]. Dislocation-based anisotropy delivers a different suite of tools with which to tailor functional materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Loss of a satellite could explain Saturn’s obliquity and young rings

The origin of Saturn’s ~26.7° obliquity and ~100-million-year-old rings is unknown. The observed rapid outward migration of Saturn’s largest satellite, Titan, could have raised Saturn’s obliquity through a spin-orbit precession resonance with Neptune. We use Cassini data to refine estimates of Saturn’s moment of inertia, finding that it is just outside the range required for the resonance. We propose that Saturn previously had an additional satellite, which we name Chrysalis, that caused Saturn’s obliquity to increase through the Neptune resonance. Destabilization of Chrysalis’s orbit ~100 million years ago can then explain the proximity of the system to the resonance and the formation of the rings through a grazing encounter with Saturn.

Science & Technology - Other Topics↗
DOE OSTI2021

Exploiting user activeness for data retention in HPC systems

HPC systems typically rely on the fixed-lifetime (FLT) data retention strategy, which only considers temporal locality of data accesses to parallel file systems. However, our extensive analysis based on the leadership-class HPC system traces suggests that the FLT approach often fails to capture the dynamics in users' behavior and leads to undesired data purge. In this study, we propose an activeness-based data retention (ActiveDR) solution, which advocates considering the data retention approach from a holistic activeness-based perspective. By evaluating the frequency and impact of users' activities, ActiveDR prioritizes the file purge process for inactive users and rewards active users with extended file lifetime on parallel storage. Our extensive evaluations based on the traces of the prior Titan supercomputer show that, when reaching the same purge target, ActiveDR achieves up to 37% file miss reduction as compared to the current FLT retention methodology.

Zhang, Wei↗
DOE OSTI2024

Electrolyte and Cutoff Potential Effects on Cycle Life of Li4Ti5O12/LiNi0.9Mn0.1O2 Batteries for Behind-the-Meter Storage Applications

Behind-the-Meter Storage (BTMS) is a stationary battery energy storage system that is connected to the electrical distribution system on the customer's side of the utility's service meter. BTMS systems are used to store electrical energy from the grid as well as inconstant, renewable energy, such as local solar and wind generation. A successful BTMS system will allow the customer to pair their energy generation and storage to optimize electrical consumption from the grid, improving reliability and minimizing cost. For BTMS applications, batteries must be designed and optimized with different set of criteria from other leading segments of the Li-ion battery market, like transportation, due the system being stationary and proximal to the residential or commercial building it's benefitting. BTMS applications prioritize safety, cost (low/no-critical materials), reliability (20-year calendar life), and durability (10,000 cycle life), while having the ability to (minimally) compromise energy density and rate capability. Lithium titanate (Li4Ti5O12-, LTO) is a promising anode candidate for BTMS applications due to its high safety and capacity retention, while maintaining a reasonable 160 mAhg-1 reversable capacity and composition of relatively abundant materials. (1) Specifically, LTO has a high working voltage which helps to prevent Li dendrite formation, improving safety. Furthermore, LTO also has negligible lithiation-based volume change, leading to less mechanical pulverization, or loss of active material, upon cycling. For the cathode, materials with little or no Co are of high interest due to the high cost and low abundance of Co. LiMn2O4 (LMO) has been paired with LTO for BTMS applications in the past due to its safety, low cost (abundancy), and reasonably high operating voltage. (2-4) However, the low capacity of LMO limits energy density and specific energy. While not the highest priority for BTMS applications, increasing energy density will enable deployment in space constrained BTMS applications and decrease total cost. LiNi0.9Mn0.1O2 (LN-MO) is a recently developed material with promise due to its high operating voltage and relatively low price. (5) However, Ni-rich layered oxides, including LNMO, tend to struggle with capacity retention during high-voltage cycling due to mechanical pulverization, irreversible phase transitions, and unstable solid-electrolyte interphase. The study presented here focuses on building an understanding of how electrolyte solvent and varied cutoff potentials will impact the cycle life of LTO/LN-MO cells. Specifically, a comparison is provided between ethylene carbonate (EC), ethyl methyl carbonate (EMC), fluoroethylene carbonate (FEC), and Gen2 electrolyte solvents with 1M Lithium hexafluorophosphate (LiPF6) salt, cycling to two upper termination potentials, 2.6V and 2.7V. Electrochemical testing and diagnostics (e.g., differential capacity analysis, area specific impedance, constant voltage hold, and rate capability) and post-mortem characterization will be used to understand the aging behavior and failure mechanisms of the 8 cell combinations (four electrolytes and two voltage cutoffs). Cells with FEC electrolyte showed a lower initial capacity compared to cells with Gen2, EMC, and EC cycling at both voltages; however, the cells with FEC showed consistent trends in capacity retention with 2.6V and 2.7V termination potentials, while the cells with the other electrolytes showed much higher rates of capacity loss when cycling to the higher voltage. These results indicate that FEC may play a role in improving durability of high-voltage, Ni-rich electrode systems for use in high-cycle applications, such as BTMS.

electrolyte↗
DOE OSTI2021

An Adaptive Tracking Algorithm for Convection in Simulated and Remote Sensing Data

A robust and computationally efficient object tracking algorithm is developed by incorporating various tracking techniques. Physical properties of the objects, such as brightness temperature or reflectivity, are not considered. Therefore, the algorithm is adaptable for tracking convection-like features in simulated data and remotely sensed two-dimensional images. In this algorithm, a first guess of the motion, estimated using the Fourier phase shift, is used to predict the candidates for matching. A disparity score is computed for each target–candidate pair. The disparity also incorporates overlapping criteria in the case of large objects. Then the Hungarian method is applied to identify the best pairs by minimizing the global disparity. The high-disparity pairs are unmatched, and their target and candidate are declared expired and newly initiated objects, respectively. They are tested for merger and split on the basis of their size and overlap with the other objects. The sensitivity of track duration is shown for different disparity and size thresholds. The report highlights the algorithm’s ability to study convective life cycles using radar and simulated data over Darwin, Australia. The algorithm skillfully tracks individual convective cells (a few pixels in size) and large convective systems. The duration of tracks and cell size are found to be lognormally distributed over Darwin. The evolution of size and precipitation types of isolated convective cells is presented in the Lagrangian perspective. This algorithm is part of a vision for a modular platform [viz., TINT is not TITAN (TINT) and Tracking and Object-Based Analysis of Clouds (tobac)] that will evolve into a sustainable choice to analyze atmospheric features.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

FePt binary alloy with 32 atoms - LSMS-3 data

This dataset contains the estimate of atomic charge density, atomic magnetic moment and total energy for 32,000 configurations of the iron-platinum (FePt) binary alloy with body-centered cubic (BCC) structure. The configurations span all the compositions from 0%Fe - 100% Pt through 100%Fe - 0% Pt. The results have been produced running ab-initio density functional theory (DFT) calculations with the LSMS-3 code on OLCF supercomputer Titan. LSMS-3 GitHub repository: https://github.com/mstsuite/lsms Deep Learning research papers published with results based on this dataset: Fast and stable deep-learning predictions of material properties for solid solution alloys Massimiliano Lupo Pasini, Ying Wai Li, Junqi Yin, Jiaxin Zhang, Kipton Barros and Markus Eisenbach Published 14 December 2020 • © 2020 IOP Publishing Ltd Journal of Physics: Condensed Matter, Volume 33, Number 8 Citation Massimiliano Lupo Pasini et al 2021 J. Phys.: Condens. Matter 33 084005 https://iopscience.iop.org/article/10.1088/1361-648X/abcb10

36 MATERIALS SCIENCE↗
DOE OSTI2021

CuAu binary alloy with 32 atoms - LSMS-3 data

This dataset contains the estimate of atomic charge density, atomic magnetic moment and total energy for 32,000 configurations of the iron-platinum (CuAu) binary alloy with face-centered cubic (FCC) structure. The configurations span all the compositions from 0%Cu - 100% Au through 100%Cu - 0% Au. The results have been produced running ab-initio density functional theory (DFT) calculations with the LSMS-3 code on OLCF supercomputer Titan. LSMS-3 GitHub repository: https://github.com/mstsuite/lsms Deep Learning research papers published with results based on this dataset: Fast and stable deep-learning predictions of material properties for solid solution alloys Massimiliano Lupo Pasini, Ying Wai Li, Junqi Yin, Jiaxin Zhang, Kipton Barros and Markus Eisenbach Published 14 December 2020. 2020 IOP Publishing Ltd Journal of Physics: Condensed Matter, Volume 33, Number 8 Citation Massimiliano Lupo Pasini et al 2021 J. Phys.: Condens. Matter 33 084005 https://iopscience.iop.org/article/10.1088/1361-648X/abcb10

36 MATERIALS SCIENCE↗
DOE OSTI2022

Silicon nitride stress-optic microresonator modulator for optical control applications

Modulation-based control and locking of lasers, filters and other photonic components is a ubiquitous function across many applications that span the visible to infrared (IR), including atomic, molecular and optical (AMO), quantum sciences, fiber communications, metrology, and microwave photonics. Today, modulators used to realize these control functions consist of high-power bulk-optic components for tuning, sideband modulation, and phase and frequency shifting, while providing low optical insertion loss and operation from DC to 10s of MHz. In order to reduce the size, weight and cost of these applications and improve their scalability and reliability, modulation control functions need to be implemented in a low loss, wafer-scale CMOS-compatible photonic integration platform. The silicon nitride integration platform has been successful at realizing extremely low waveguide losses across the visible to infrared and components including high performance lasers, filters, resonators, stabilization cavities, and optical frequency combs. Yet, progress towards implementing low loss, low power modulators in the silicon nitride platform, while maintaining wafer-scale process compatibility has been limited. Here we report a significant advance in integration of a piezo-electric (PZT, lead zirconate titanate) actuated micro-ring modulation in a fully-planar, wafer-scale silicon nitride platform, that maintains low optical loss (0.03 dB/cm in a 625 µm resonator) at 1550 nm, with an order of magnitude increase in bandwidth (DC - 15 MHz 3-dB and DC - 25 MHz 6-dB) and order of magnitude lower power consumption of 20 nW improvement over prior PZT modulators. The modulator provides a >14 dB extinction ratio (ER) and 7.1 million quality-factor (Q) over the entire 4 GHz tuning range, a tuning efficiency of 162 MHz/V, and delivers the linearity required for control applications with 65.1 dB·Hz 2/3 and 73.8 dB·Hz 2/3 third-order intermodulation distortion (IMD3) spurious free dynamic range (SFDR) at 1 MHz and 10 MHz respectively. We demonstrate two control applications, laser stabilization in a Pound-Drever Hall (PDH) lock loop, reducing laser frequency noise by 40 dB, and as a laser carrier tracking filter. This PZT modulator design can be extended to the visible in the ultra-low loss silicon nitride platform with minor waveguide design changes. This integration of PZT modulation in the ultra-low loss silicon nitride waveguide platform enables modulator control functions in a wide range of visible to IR applications such as atomic and molecular transition locking for cooling, trapping and probing, controllable optical frequency combs, low-power external cavity tunable lasers, quantum computers, sensors and communications, atomic clocks, and tunable ultra-low linewidth lasers and ultra-low phase noise microwave synthesizers.

Wang, Jiawei (ORCID:0000000257965220)↗
DOE OSTI2024

A-site occupancy effects on structure, ionic conductivity, and thermodynamic stability of KxMgx/2Ti8−x/2O16

Abstract K x Mg x /2 Ti 8− x /2 O 16 (1.54 ≤ x ≤ 2) hollandite samples synthesized using a conventional solid-state route were used to investigate the effect of structure, ionic conductivity, and thermodynamic stability as a function of A-site (K) occupancy. The ionic conductivity, as measured using AC impedance spectroscopy, decreased as the A-site occupancy (and K content) increased. Titanate hollandite, of the form K x Mg x /2 Ti 8− x /2 O 16 , was measured using high-temperature oxide melt solution calorimetry in sodium molybdate (3Na 2 O $$\bullet$$ ∙ 4MoO 3 ) solvent at 804 $$^\circ{\rm C}$$ ∘ C . The enthalpies of formation are strongly exothermic indicating that they are thermodynamically stable relative to their constituent oxides. Previous studies have demonstrated increased stability with an increase in Cs content at fixed A-site occupancy. This work demonstrated an increase in the stability for the K-bearing hollandite samples with an increase in K content and tunnel occupancy. The measured enthalpies of formation (∆ H f,ox ) were in good agreement with density functional theory (DFT) predictions. Graphical abstract

Cassell, Nakeshma S.↗
DOE OSTI2024

Low RF loss DC conductive ceramic for RF windows

Charging of RF windows has historically been problematic, frequently resulting in damage to the window severe enough that the window needs to be replaced. Many attempts have been made to prevent charging and therefore improve window lifetime, the most successful and common of which is coating the window with titanium nitride (TiN). Surface coatings such as TiN rely on the secondary electron yield of the coating material being lower than that of the ceramic window material, reducing the number of electrons emitted from a variety of mechanisms. An alternative approach is to introduce a small amount of DC conductivity to the ceramic itself, turning the traditionally insulating window into a mildly conductive one. This allows any charge on the surface of the window to drain rather than build until a discharge happens. A magnesium titanate ceramic has been developed with a small DC conductivity and used to make RF windows. Several window assemblies have been produced and tested, including 1.3 GHz waveguide and 650 MHz coaxial designs. The results of the conductive ceramic window test program will be presented.

43 PARTICLE ACCELERATORS↗