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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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35 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Low-power anisotropic molecular electronic memristors

A molecular electronic memristor, programmable resistive memory device, promises to revolutionize next-generation flexible data storage units, offering fast, dense and ultralow power solutions. Here we report anisotropic resistive switching in molecular κ-(BEDT-TTF) 2 Cu[N(CN) 2 ]Cl memristors, consisting of alternatively segregated bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) and Cu[N(CN) 2 ]Cl layers. Electron resistance switching behavior controlled by charge tunneling in molecular memristors show a low set voltage of 0.5 V (10 V/cm) with the ON/OFF ratio of 2.3×10 3 along a-axis and a high-level endurance of 1.25×10 4 cycles along all axes. Finally, the findings of such molecular electronic crystals promise for low-power data storage memristors.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Electrochemical Switching of a Fluorescent Molecular Rotor Embedded within a Bistable Rotaxane

We report how the nanoconfined environment, introduced by the mechanical bonds within an electrochemically switchable bistable [2]rotaxane, controls the rotation of a fluorescent molecular rotor, namely, an 8-phenyl-substituted boron dipyrromethene (BODIPY). The electrochemical switching of the bistable [2]rotaxane induces changes in the ground-state coconformation and in the corresponding excited-state properties of the BODIPY rotor. In the starting redox state, when no external potential is applied, the cyclobis(paraquat-p-phenylene) (CBPQT4+) ring component encircles the tetrathiafulvalene (TTF) unit on the dumbbell component, leaving the BODIPY rotor unhindered and exhibiting low fluorescence. Upon oxidation of the TTF unit to a TTF2+ dication, the CBPQT4+ ring is forced toward the molecular rotor, leading to an increased energy barrier for the excited state to rotate the rotor into the state with a high nonradiative rate constant, resulting in an overall 3.4-fold fluorescence enhancement. On the other hand, when the solvent polarity is high enough to stabilize the excited charge-transfer state between the BODIPY rotor and the CBPQT4+ ring, movement of the ring toward the BODIPY rotor produces an unexpectedly strong fluorescence signal decrease as the result of photoinduced electron transfer from the BODIPY rotor to the CBPQT4+ ring. The nanoconfinement effect introduced by mechanical bonding can effectively lead to modulation of the physicochemical properties as observed in this bistable [2]rotaxane. On account of the straightforward synthetic strategy and the facile modulation of switchable electrochromic behavior, our approach could pave the way for the development of new stimuli-responsive materials based on mechanically interlocked molecules for future electro-optical applications, such as sensors, molecular memories, and molecular logic gates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Probing the evolution of fault properties during the seismic cycle with deep learning

We use seismic waves that pass through the hypocentral region of the 2016 M6.5 Norcia earthquake together with Deep Learning (DL) to distinguish between foreshocks, aftershocks and time-to-failure (TTF). Binary and N-class models defined by TTF correctly identify seismograms in test with > 90% accuracy. We use raw seismic records as input to a 7 layer CNN model to perform the classification. Here we show that DL models successfully distinguish seismic waves pre/post mainshock in accord with lab and theoretical expectations of progressive changes in crack density prior to abrupt change at failure and gradual postseismic recovery. Performance is lower for band-pass filtered seismograms (below 10 Hz) suggesting that DL models learn from the evolution of subtle changes in elastic wave attenuation. Tests to verify that our results indeed provide a proxy for fault properties included DL models trained with the wrong mainshock time and those using seismic waves far from the Norcia mainshock; both show degraded performance. Our results demonstrate that DL models have the potential to track the evolution of fault zone properties during the seismic cycle. If this result is generalizable it could improve earthquake early warning and seismic hazard analysis.

58 GEOSCIENCES↗
DOE OSTI2020

Interdigitated conducting tetrathiafulvalene-based coordination networks

Here, assembly of a novel ethylenedithio-tetrathiafulvalene (EDT-TTF) derivative bearing two adjacent 4-thiopyridyl groups with M(NCS)2 nodes (M = Fe, Co) leads to two isostructural 1D coordination polymers showing an enhancement of their electronic conductivity by six orders of magnitude (10 –6 vs. 10 –12 S cm –1 ), upon surface oxidation by iodine and subsequent generation of EDT-TTF-based radicals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Photoinduced frustration modulation in 𝜅-type quantum spin liquid candidates

Geometric frustration is a key parameter controlling electronic and magnetic properties of quantum spin liquid systems, yet remains challenging to tune. Here, we coherently drive molecular vibrations with midinfrared pulses in two organic quantum spin liquid candidates, the insulating 𝜅−(BEDT−TTF) 2⁢ Cu 2 ⁢(CN) 3 and the metallic 𝜅−(BEDT−TTF) 4 ⁢Hg 2.89 ⁢Br 8 , and probe their electronic response through ultrafast reflectivity measurements. We observe a nonlinear coupling between local molecular vibrations and nonlocal phonons, which is expected to directly modulate the geometric frustration of their triangular lattice. Furthermore, our findings establish a promising route to dynamically control frustration in nonbipartite quantum materials.

Frustrated magnetism↗
DOE OSTI2021

Probing the effect of magnetic field on charge order in the quasi-two-dimensional Mott insulator κ - (ET) 2 Hg(SCN) 2 Cl

Molecular-based quasi-two-dimensional charge-ordered Mott insulators can possess both spin S = 1/2 and an electric dipole degree of freedom residing on each (BEDT - TTF) 2 lattice site. There exists a theoretical proposal for a magnetoelectric effect in such a material, which can manifest itself as a sensitivity of charge distribution on (BEDT - TTF) 2 dimers to the magnetic field. Here in this work, we used Raman scattering spectroscopy in the magnetic field up to 31 T applied perpendicular to the two-dimensional triangular lattice planes to probe a magnetoelectric effect in $\kappa$ - (ET) 2 H g (SCN) 2 Cl. This is a model compound, which shows charge order and antiferromagnetic correlations at temperatures below 30 K. We discuss possible reasons for the absence of an observable magnetoelectric effect in the probed temperature and magnetic field ranges.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Attention Network Forecasts Time-to-Failure in Laboratory Shear Experiments

Rocks under stress deform by creep mechanisms that include formation and slip on small-scale internal cracks. Intragranular cracks and slip along grain contacts release energy as elastic waves termed acoustic emissions (AE). AEs are thought to contain predictive information that can be used for fault failure forecasting. Here, we present a method using unsupervised classification and an attention network to forecast labquakes using AE waveform features. Our data were generated in a laboratory setting using a biaxial shearing device with granular fault gouge intended to mimic the conditions of tectonic faults. Here, we analyzed the temporal evolution of AEs generated throughout several hundred laboratory earthquake cycles. We used a Conscience Self-Organizing Map (CSOM) to perform topologically ordered vector quantization based on waveform properties. The resulting map was used to interactively cluster AEs. We examined the clusters over time to identify those with predictive ability. Finally, we used a variety of LSTM and attention-based networks to test the predictive power of the AE clusters. By tracking cumulative waveform features over the seismic cycle, the network is able to forecast the time-to-failure (TTF) of lab earthquakes. Our results show that analyzing the data to isolate predictive signals and using a more sophisticated network architecture are key to robustly forecasting labquakes. In the future, this method could be applied on tectonic faults to monitor earthquakes and augment early warning systems.

58 GEOSCIENCES↗
DOE OSTI2020

Melting of charge order in the low-temperature state of an electronic ferroelectric-like system

Strong electronic interactions can drive a system into a state with a symmetry breaking. Lattice frustration or competing interactions tend to prevent symmetry breaking, leading to quantum disordered phases. In spin systems frustration can produce a spin liquid state. Frustration of a charge degree of freedom also can result in various exotic states, however, experimental data on these effects is scarce. In this work we demonstrate how in a Mott insulator on a weakly anisotropic triangular lattice a charge ordered state melts on cooling down to low temperatures. Raman scattering spectroscopy finds that κ -(BEDT-TTF) 2 Hg(SCN) 2 Cl enters an insulating “dipole solid” state at T =30K, but below T =15K the order melts, while preserving the insulating energy gap. Based on these observations, we suggest a phase diagram relevant to other quantum paraelectric materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Cavity-altered superconductivity

Is it feasible to alter the ground-state properties of a material by engineering its electromagnetic environment? Inspired by theoretical predictions, experimental realizations of such cavity-controlled properties without optical excitation are beginning to emerge. Here we devised and implemented a new platform to realize cavity-altered materials. Single crystals of hyperbolic van der Waals (vdW) compounds provide a resonant electromagnetic environment with enhanced density of photonic states and prominent mode confinement. We interfaced hexagonal boron nitride (hBN) with the molecular superconductor κ-(BEDT-TTF) 2 Cu[N(CN) 2 ]Br (κ-ET). The frequencies of infrared hyperbolic modes (HMs) of hBN match the infrared-active carbon–carbon (C=C) stretching molecular resonance of κ-ET implicated in superconductivity. Nano-optical data supported by first-principles molecular Langevin dynamics simulations confirm the presence of resonant coupling between the hBN hyperbolic cavity modes and the C=C stretching mode in κ-ET. Meissner-effect measurements using magnetic force microscopy (MFM) demonstrate a strong suppression of superfluid density near the hBN/κ-ET interface. Non-resonant control heterostructures, including RuCl 3 /κ-ET and hBN/Bi 2 Sr 2 CaCu 2 O 8+x (BSCCO), do not show the pronounced superfluid suppression. These observations suggest that hBN/κ-ET realizes a cavity-altered superconducting ground state. Our work highlights the potential of dark cavities devoid of external photons for engineering electronic ground-state properties of complex quantum materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Potential for exciton condensation in a highly conductive amorphous polymer

An outstanding challenge in synthesis and theory is to develop molecular materials at ambient conditions that exhibit highly efficient energy transfer. Here, in this study, we demonstrate the potential of a recently synthesized, highly conductive amorphous material—a nickel tetrathiafulvalene-tetrathiolate (NiTTFtt) polymer—to become an exciton condensate—a Bose-Einstein condensate of particle-hole pairs, known as excitons, that supports dissipationless flow of excitation energy. While exciton condensates have recently been realized in ordered materials, we show by advanced electronic structure calculations that this highly correlated phenomenon can potentially be realized in molecularly tailored, amorphous materials. In contrast to the Bechgaard salts that support superconductivity at compressed geometries requiring high pressures, we show that the recently synthesized, amorphous NiTTFtt polymer exhibits the computational signature of exciton condensation at experimentally realizable geometries, occurring at ambient pressures. Results suggest that superfluidity in this system and related systems—including van der Waals structures, molecular metals with extended-TTF dithiolate ligands, and Bechgaard salts—may occur via a nontraditional excitonic mechanism tuneable according to system composition, geometry, size, and charge. This study prompts further experimental investigation of the rational design of molecularly scaled exciton condensates with potential applications to efficient transport in technologically relevant materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Real-Time Lifetime Prediction of Semiconductor Devices Using Hardware-in-the-Loop

This paper presents a unique approach to enable real-time lifespan prediction of semiconductor power modules using a Hardware-in-the-Loop (HIL) system. By integrating the module's overall loss characteristics-specifically switching and conduction losses-with a thermoelectric model of the thermal management system, this research demonstrates that the model can dynamically estimates the junction temperature profile of the semiconductor devices in response to a changing torque demand profile for the motor drive system. This capability enables continuous monitoring of the module's operational time and cumulative stress induced on the devices to compute accumulated remaining lifetime or time-to-failure (TTF). This study provides an architectural framework for the HIL system with high-fidelity component models of multiple physical domains, allowing simulation of dynamic behaviors of a closely-coupled motor drive system. The advanced real-time computation and measurement functionalities of the HIL system allow for both dynamic lifetime calculations based on simulated data and aggregate lifetime predictions utilizing historical data. Moreover, this paper details an algorithm that not only computes cumulative damage but also synthesizes these data into a comprehensive aggregated lifetime metric. This methodology can enhance the maintenance scheduling strategies and operational reliability of semiconductor devices in critical applications, ultimately extending their service life while optimizing performance.

hardware-in-the-loop (HIL)↗
DOE OSTI2021

Technology Evaluation of the Yotta SolarLEAF: A Panel-Based Thermally Managed Battery Module

In 2019, the United States installed 13.3 gigawatts of solar energy production capacity. This demand for solar will continually increase as the phasing out of fossil fuels continue. As the demand for solar energy grows, so does the demand to store this generated energy. It is projected that by 2035 the global demand for stationary energy storage will reach the terawatt scale. So, scalable solutions with suitable thermal management systems are required to meet future demand. Yotta Solar has developed an ESS system, the Yotta LEAF, that provides solar energy storage without increasing the footprint of solar arrays. This is particularly useful in applications with limited space (e.g., building roof) and where large scale batteries require strong requirements for fire suppression systems. As part of the Wells Fargo Innovation Incubator (IN2), the National Renewable Energy Laboratory (NREL) has conducted a third-party technology validation of Yotta's alpha prototype. The report includes the objectives, technology description, methodology, and results from experiments conducted at the Thermal Transfer Facility (TTF) at NREL.

14 SOLAR ENERGY↗
DOE OSTI2022

Eddy Current Flow Meter Measurements and Modeling Validation

The goal of the eddy current flow meter (ECFM) is to monitor velocities and temperatures of conductive liquid metals. The ECFM can also detect voids in two-phase liquid metal flows. Measurement of these flows can greatly improve the accuracy of the empirical formulas used for fluid dynamics near the reactor core and aid in mapping any non-uniformities in fluid flow such as estimates of temperature and phase. While the eventual goal is to develop the ECFM for the liquid sodium surrounding the Versatile Test Reactor (VTR) core, this report focuses on modeling and experimental validation of ECFM for a moving solid test rod and for liquid mercury in the Target Test Facility (TTF) flow loop to better understand and further develop ECFM measurement capabilities by validating model predictions with benchmark experiments. Eventually the models could be used to design and optimize future ECFMs for specific applications such as monitoring flow within the VTR pool.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Deformed waveshape of quantum oscillation in magnetocaloric effect for layered organic superconductor.

Magnetocaloric effect for a layered organic superconductor beta ''-(BEDT-TTF)(2)SF5CH2CF2SO3 has been investigated. At low magnetic fields, a sinusoidal quantum oscillation, arising from a closed Fermi surface, is observed. As the field increases, the waveshape of the oscillation is strongly deformed and then sharp peaks emerge. The total energy including the Landau quantized states and the elastic energy of the leads holding the sample is calculated as a function of field strength and angle, and the minimum total energy, which determines the sample angle, is obtained as a function of field. The calculated results clarify that the deformation of the quantum oscillation is ascribed to a tilting effect of the sample by the magnetic torque.

Sugiura, Shiori↗
DOE OSTI2020

TESLA's High Gradient March: Thirty years anniversary of TESLA Technology Collaboration (TTC)

In 2020, the TTC (TESLA Technology Collaboration) celebrates 30 years of collaborative efforts on SRF technologies. The first international TESLA workshop on a TeV Energy Superconducting Linear Accelerator was held at Cornell University on July 23-26, 1990. The purpose of the meeting was to work on a parameter list for a superconducting high energy physics collider in the Teravolt energy region and to explore ideas on how to increase the gradients and lower the costs for the accelerator structures. It was clear from the beginning that the needed technological progress would require a large international collaboration. This meeting was indeed the origin of a long preparation effort toward a future ILC (International Linear Collider), which eventually led to the realization of the TTF (TESLA Test Facility, since 2005 operated as the DESY user facility FLASH) and the European XFEL also at DESY, and created the conditions supporting the proposals for several large SRF-based research facilities like SNS, LCLS-II, ESS, PIP-II and SHINE, as well as a growing number of smaller facilities around the world. Highlights of this 30-year international collaboration are presented and celebrated.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗