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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Piezomagnetic switching and complex phase equilibria in uranium dioxide

Abstract Actinide materials exhibit strong spin–lattice coupling and electronic correlations, and are predicted to host new emerging ground states. One example is piezomagnetism and magneto-elastic memory effect in the antiferromagnetic Mott-Hubbard insulator uranium dioxide, though its microscopic nature is under debate. Here, we report X-ray diffraction studies of oriented uranium dioxide crystals under strong pulsed magnetic fields. In the antiferromagnetic state a [888] Bragg diffraction peak follows the bulk magnetostriction that expands under magnetic fields. Upon reversal of the field the expansion turns to contraction, before the [888] peak follows the switching effect and piezomagnetic ‘butterfly’ behaviour, characteristic of two structures connected by time reversal symmetry. An unexpected splitting of the [888] peak is observed, indicating the simultaneous presence of time-reversed domains of the 3-k structure and a complex magnetic-field-induced evolution of the microstructure. These findings open the door for a microscopic understanding of the piezomagnetism and magnetic coupling across strong magneto-elastic interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Quantum memristors

Technology based on memristors, resistors with memory whose resistance depends on the history of the crossing charges, has lately enhanced the classical paradigm of computation with neuromorphic architectures. However, in contrast to the known quantized models of passive circuit elements, such as inductors, capacitors or resistors, the design and realization of a quantum memristor is still missing. Here, we introduce the concept of a quantum memristor as a quantum dissipative device, whose decoherence mechanism is controlled by a continuous-measurement feedback scheme, which accounts for the memory. Indeed, we provide numerical simulations showing that memory effects actually persist in the quantum regime. Our quantization method, specifically designed for superconducting circuits, may be extended to other quantum platforms, allowing for memristor-type constructions in different quantum technologies. As a result, the proposed quantum memristor is then a building block for neuromorphic quantum computation and quantum simulations of non-Markovian systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

nn-PINNs: Non-Newtonian physics-informed neural networks for complex fluid modeling

Time- and rate-dependent material functions in non-Newtonian fluids in response to different deformation fields pose a challenge in integrating different constitutive models into conventional computational fluid dynamic platforms. Considering their relevance in many industrial and natural settings alike, robust data-driven frameworks that enable accurate modeling of these complex fluids are of great interest. The main goal is to solve the coupled Partial Differential Equations (PDEs) consisting of the constitutive equations that relate the shear stress to the deformation and fully capture the behavior of the fluid under various flow protocols with different boundary conditions. Here, in this work, we present non-Newtonian physics-informed neural networks (nn-PINNs) for solving systems of coupled PDEs adopted for complex fluid flow modeling. The proposed nn-PINN method is employed to solve the constitutive models in conjunction with conservation of mass and momentum by benefiting from Automatic Differentiation (AD) in neural networks, hence avoiding the mesh generation step. nn-PINNs are tested for a number of different complex fluids with different constitutive models and for several flow protocols. These include a range of Generalized Newtonian Fluid (GNF) empirical constitutive models, as well as some phenomenological models with memory effects and thixotropic timescales. nn-PINNs are found to obtain the correct solution of complex fluids in spatiotemporal domains with good accuracy compared to the ground truth solution. We also present applications of nn-PINNs for complex fluid modeling problems with unknown boundary conditions on the surface, and show that our approach can successfully recover the velocity and stress fields across the domain, including the boundaries, given some sparse velocity measurements.

42 ENGINEERING↗
DOE OSTI2024

Defect-induced formation and frustration-driven multiple magnetic transitions in Gd 2 Co 0.90 Si 2.90

A new ternary compound, Gd 2 Co 0.90 Si 2.90 , has been synthesized in a chemically single phase by deliberately introducing lattice vacancies in the Co and Si sites. The system is characterized by DC magnetization, heat capacity, resistivity and density functional theory (DFT) calculations. Here, a detailed experimental study reveals that the system exhibits an antiferromagnetic transition below T N = 11.3 K followed by spin freezing behaviour below T B ~ 4.8 K. An additional high-temperature magnetic transition could also be detected at T H ~ 150 K, which is short range in character and is associated with defect-induced polarization of the conduction electrons. The spin-glass-like state formation in the system is additionally bolstered by the observation of magnetic relaxation and associated aging phenomena as well as the magnetic memory effect. On the basis of non-equilibrium dynamical behaviour, we argue that the glassy state in this compound favours the hierarchical model over the droplet model. DFT calculations and experimental outcomes establish that the ground state is magnetically frustrated due to the small energy difference between distinct spin configurations having closely spaced ground-state energies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Breakdown and Discharge Characteristics of High Repetition Frequency Nanosecond Pulsed Air Dielectric Barrier Discharge

This study explores the breakdown characteristics and discharge modes in a parallel plate air dielectric barrier discharge system using repetitive nanosecond pulses, with pulse repetition frequencies (PRFs) from 0.1 to 100 kHz. It examines how pulse parameters—PRF, pulse number and gas pressure—affect the memory effect, leveraging current and voltage measurements, fast imaging and optical emission spectroscopy. The findings show that higher PRFs lead to a reduction in breakdown voltage well below the streamer breakdown threshold. We argue that this effect may be attributed to the cumulative buildup of metastable species and negative ions in the discharge gap which could sustain free electrons in‐between the voltage pulses. Despite observing increased energy deposition with higher PRFs, the impact on filament formation was minimal, highlighting a strong dependence of discharge morphology on the accumulation of plasma‐produced species. This research studies provides valuable insights for controlling discharge regimes in applications such as plasma‐assisted combustion, surface treatment and air treatment by clarifying the interactions between discharge mechanisms at different PRFs and pressures.

42 ENGINEERING↗
DOE OSTI2014

Large improvement of phosphorus incorporation efficiency in n-type chemical vapor deposition of diamond

Microwave plasma enhanced chemical vapor deposition is a promising way to generate n-type, e.g., phosphorus-doped, diamond layers for the fabrication of electronic components, which can operate at extreme conditions. However, a deeper understanding of the doping process is lacking and low phosphorus incorporation efficiencies are generally observed. In this work, it is shown that systematically changing the internal design of a non-commercial chemical vapor deposition chamber, used to grow diamond layers, leads to a large increase of the phosphorus doping efficiency in diamond, produced in this device, without compromising its electronic properties. Compared to the initial reactor design, the doping efficiency is about 100 times higher, reaching 10%, and for a very broad doping range, the doping efficiency remains highly constant. It is hypothesized that redesigning the deposition chamber generates a higher flow of active phosphorus species towards the substrate, thereby increasing phosphorus incorporation in diamond and reducing deposition of phosphorus species at reactor walls, which additionally reduces undesirable memory effects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Reentrant spin glass ordering in an Fe-based bulk metallic glass

We report the results of the complex susceptibility, temperature, and field dependence of DC magnetization and the nonequilibrium dynamics of a bulk metallic glass Fe{sub 40}Co{sub 8}Cr{sub 15}Mo{sub 14}C{sub 15}B{sub 6}Er{sub 2}. Solid indication of the coexistence of reentrant spin glass (SG) and ferromagnetic orderings is determined from both DC magnetization and AC susceptibility under different DC fields. Dynamics scaling of AC susceptibility indicates critical slowing down to a reentrant SG state with a static transition temperature T{sub s} = ∼17.8 K and a dynamic exponent zv = ∼7.3. The SG nature is further corroborated from chaos and memory effects, magnetic hysteresis, and aging behavior. We discuss the results in terms of the competition among random magnetic anisotropy and exchange interactions and compare them with simulation predictions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Observation of giant exchange bias in bulk Mn{sub 50}Ni{sub 42}Sn{sub 8} Heusler alloy

We report a giant exchange bias (EB) field of 3520 Oe in bulk Mn{sub 50}Ni{sub 42}Sn{sub 8} Heusler alloy. The low temperature magnetic state of the martensite phase has been studied by DC magnetization and AC susceptibility measurements. Frequency dependence of spin freezing temperature (T{sub f}) on critical slowing down relation and observation of memory effect in zero field cooling mode confirms the super spin glass (SSG) phase at low temperatures. Large EB is attributed to the strong exchange coupling between the SSG clusters formed by small regions of ferromagnetic order embedded in an antiferromagnetic (AFM) matrix. The temperature and cooling field dependence of EB have been studied and related to the change in unidirectional anisotropy at SSG/AFM interface. The training effect also corroborates with the presence of frozen (SSG) moments at the interface and their role in EB.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Towards time-dependent current-density-functional theory in the non-linear regime

Time-Dependent Density-Functional Theory (TDDFT) is a well-established theoretical approach to describe and understand irradiation processes in clusters and molecules. However, within the so-called adiabatic local density approximation (ALDA) to the exchange-correlation (xc) potential, TDDFT can show insufficiencies, particularly in violently dynamical processes. This is because within ALDA the xc potential is instantaneous and is a local functional of the density, which means that this approximation neglects memory effects and long-range effects. A way to go beyond ALDA is to use Time-Dependent Current-Density-Functional Theory (TDCDFT), in which the basic quantity is the current density rather than the density as in TDDFT. This has been shown to offer an adequate account of dissipation in the linear domain when the Vignale-Kohn (VK) functional is used. Here, we go beyond the linear regime and we explore this formulation in the time domain. In this case, the equations become very involved making the computation out of reach; we hence propose an approximation to the VK functional which allows us to calculate the dynamics in real time and at the same time to keep most of the physics described by the VK functional. We apply this formulation to the calculation of the time-dependent dipole moment of Ca, Mg and Na{sub 2}. Our results show trends similar to what was previously observed in model systems or within linear response. In the non-linear domain, our results show that relaxation times do not decrease with increasing deposited excitation energy, which sets some limitations to the practical use of TDCDFT in such a domain of excitations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Electrical characteristics of ZnO nanorods reinforced polymer nanocomposite thin films

ZnO nanorods have been prepared by simple chemical method, which is used to fabricate organic bistable devices (OBDs). OBDs are fabricated by incorporating different weight percent (wt %) of chemically synthesized Zinc Oxide (ZnO) nanorods into polymethylmethacrylate (PMMA). Current-voltage (I-V) measurements of the spin coated ZnO+PMMA nanocomopsite thin film on indium tin oxide (ITO) coated glass substrate showed current hysteresis behaviour, which is an indication of memory effect. The samples exhibit two distinct resistance states, ON and OFF states, characterised by relatively low and high resistance of the OBDs, respectively. It is also observed that with change in ZnO dopant concentration the value of ON/OFF current changes. Higher ON/OFF current ratio is desired for practical applications. Current conduction mechanism of the devices has been explained invoking various existing models, and it has been found that the trapped-charge-limited conduction mechanism was dominant in our samples.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Time-dependent density functional theory for open systems with a positivity-preserving decomposition scheme for environment spectral functions

Understanding electronic dynamics on material surfaces is fundamentally important for applications including nanoelectronics, inhomogeneous catalysis, and photovoltaics. Practical approaches based on time-dependent density functional theory for open systems have been developed to characterize the dissipative dynamics of electrons in bulk materials. The accuracy and reliability of such approaches depend critically on how the electronic structure and memory effects of surrounding material environment are accounted for. In this work, we develop a novel squared-Lorentzian decomposition scheme, which preserves the positive semi-definiteness of the environment spectral matrix. The resulting electronic dynamics is guaranteed to be both accurate and convergent even in the long-time limit. The long-time stability of electronic dynamics simulation is thus greatly improved within the current decomposition scheme. The validity and usefulness of our new approach are exemplified via two prototypical model systems: quasi-one-dimensional atomic chains and two-dimensional bilayer graphene.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Spin-glass behaviors in carrier polarity controlled Fe{sub 3−x}Ti{sub x}O{sub 4} semiconductor thin films

Carrier-type control of spin-glass (cluster spin-glass) is studied in order to engineer basic magnetic semiconductor elements using the memory functions of spin-glass. A key of carrier-polarity control in magnetite is the valence engineering between Fe(II) and Fe(III) that is achieved by Ti(IV) substitution. Single phases of (001)-oriented Fe{sub 3−x}Ti{sub x}O{sub 4} thin films have been obtained on spinel MgAl{sub 2}O{sub 4} substrates by pulsed laser deposition. Thermoelectric power measurements reveal that Ti-rich films (x = 0.8) show p-type conduction, while Ti-poor films (x = 0.6–0.75) show n-type conduction. The systematic Fe(III) reduction to Fe(II) followed by Ti(IV) substitution in the octahedral sublattice is confirmed by the X-ray absorption spectra. All of the Fe{sub 3−x}Ti{sub x}O{sub 4} films (x = 0.6–0.8) exhibit ferrimagnetism above room temperature. Next, the spin-glass behaviors of Ti-rich Fe{sub 2.2}Ti{sub 0.8}O{sub 4} film are studied, since this magnetically diluted system is expected to exhibit the spin-glass behaviors. The DC magnetization and AC susceptibility measurements for the Ti-rich Fe{sub 2.2}Ti{sub 0.8}O{sub 4} film reveal the presence of the spin glass phase. Thermal- and magnetic-field-history memory effects are observed and are attributed to the long time-decay nature of remanent magnetization. The detailed analysis of the time-dependent thermoremanent magnetization reveals the presence of the cluster spin glass state.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Evidence of dilute ferromagnetism in rare-earth doped yttrium aluminium garnet

This work demonstrates strong coupling regime between an erbium ion spin ensemble and microwave hybrid cavity-whispering gallery modes in a yttrium aluminium garnet dielectric crystal. Coupling strengths of 220 MHz and mode quality factors in excess of 10{sup 6} are demonstrated. Moreover, the magnetic response of high-Q modes demonstrates behaviour which is unusual for paramagnetic systems. This behaviour includes hysteresis and memory effects. Such qualitative change of the system's magnetic field response is interpreted as a phase transition of rare earth ion impurities. This phenomenon is similar to the phenomenon of dilute ferromagnetism in semiconductors. The clear temperature dependence of the phenomenon is demonstrated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Influence of the Basset force on the resonant behavior of an oscillator with fluctuating frequency

The influence of hydrodynamic interactions, such as Stokes and Basset forces, on the dynamics of a harmonically trapped Brownian tracer is considered. A generalized Langevin equation is used to describe the tracer’s response to an external periodic force and to dichotomous fluctuations of the stiffness of the trapping potential. Relying on the Shapiro-Loginov formula, exact expressions for the complex susceptibility and for the response function are presented. On the basis of these exact formulas, it is demonstrated that interplay of a multiplicative colored noise and the Basset force induced memory effects can generate a variety of cooperation effects, such as multiresonance versus the driving frequency, as well as stochastic resonance versus noise parameters. In particular, in certain parameter regions the response function exhibits a resonance-like enhancement at intermediate values of the intensity of the Basset force. Conditions for the appearance of these effects are also discussed.

42 ENGINEERING↗
DOE OSTI2015

Demonstration of solar-blind Al{sub x}Ga{sub 1−x}N-based heterojunction phototransistors

Al{sub 0.4}Ga{sub 0.6}N/Al{sub 0.65}Ga{sub 0.35}N heterojunction phototransistors have been fabricated from the epi-structure grown by low-pressure metal organic chemical vapor deposition on c-plane sapphire substrates. P-type conductivity of the AlGaN base layer was realized by using indium surfactant-assisted Mg-delta doping method. Regrowth technique was used to suppress the Mg memory effect on the n-type emitter. The fabricated devices with a 150-μm-diameter active area exhibited a bandpass spectral response between 235 and 285 nm. Dark current was measured to be less than 10 pA for bias voltages below 2.0 V. A high optical gain of 1.9 × 10{sup 3} was obtained at 6 V bias.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Carbon doped GaN buffer layer using propane for high electron mobility transistor applications: Growth and device results

The creation of a semi insulating (SI) buffer layer in AlGaN/GaN High Electron Mobility Transistor (HEMT) devices is crucial for preventing a current path beneath the two-dimensional electron gas (2DEG). In this investigation, we evaluate the use of a gaseous carbon gas precursor, propane, for creating a SI GaN buffer layer in a HEMT structure. The carbon doped profile, using propane gas, is a two stepped profile with a high carbon doping (1.5 × 10{sup 18 }cm{sup −3}) epitaxial layer closest to the substrate and a lower doped layer (3 × 10{sup 16 }cm{sup −3}) closest to the 2DEG channel. Secondary Ion Mass Spectrometry measurement shows a uniform incorporation versus depth, and no memory effect from carbon doping can be seen. The high carbon doping (1.5 × 10{sup 18 }cm{sup −3}) does not influence the surface morphology, and a roughness root-mean-square value of 0.43 nm is obtained from Atomic Force Microscopy. High resolution X-ray diffraction measurements show very sharp peaks and no structural degradation can be seen related to the heavy carbon doped layer. HEMTs are fabricated and show an extremely low drain induced barrier lowering value of 0.1 mV/V, demonstrating an excellent buffer isolation. The carbon doped GaN buffer layer using propane gas is compared to samples using carbon from the trimethylgallium molecule, showing equally low leakage currents, demonstrating the capability of growing highly resistive buffer layers using a gaseous carbon source.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Search for the Heisenberg spin glass on rewired square lattices with antiferromagnetic interaction

Spin glass (SG) is a typical magnetic system with frozen random spin orientation at low temperatures. The system exhibits rich physical properties, such as infinite number of ground states, memory effect, and aging phenomena. There are two main ingredients considered to be pivotal for the existence of SG behavior, namely, frustration and randomness. For the canonical SG system, frustration is led by the presence of competing interaction between ferromagnetic (FM) and antiferromagnetic (AF) couplings. Previously, Bartolozzi et al. [Phys. Rev. B73, 224419 (2006)], reported the SG properties of the AF Ising spins on scale free network (SFN). It is a new type of SG, different from the canonical one which requires the presence of both FM and AF couplings. In this new system, frustration is purely caused by the topological factor and its randomness is related to the irregular connectvity. Recently, Surungan et. al. [Journal of Physics: Conference Series, 640, 012001 (2015)] reported SG bahavior of AF Heisenberg model on SFN. We further investigate this type of system by studying an AF Heisenberg model on rewired square lattices. We used Replica Exchange algorithm of Monte Carlo Method and calculated the SG order parameter to search for the existence of SG phase.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Size dependent polaronic conduction in hematite

Lithium Ion Batteries have been attracted as the major renewable energy source for all portable electronic devices because of its advantages like superior energy density, high theoretical capacity, high specific energy, stable cycling and less memory effects. Recently, α-Fe{sub 2}O{sub 3} has been considered as a potential anode material due to high specific capacity, low cost, high abundance and environmental benignity. We have synthesized α-Fe{sub 2}O{sub 3} with various sizes by using the ball milling and sol-gel procedure. Here, we report the dc conductivity measurement for the crystallite size ranging from 15 nm to 50 nm. It has been observed that the enhancement in the polaronic conductivity nearly two orders in magnitude while reducing the crystallite size from bulk into nano scale level. The enhancement in the conductivity is due to the augmented to compressive strain developed in the material which leads to pronounced decrease in the hopping length of polarons. Thus, nanocrystaline α-Fe{sub 2}O{sub 3} may be a better alternative anode material for lithium ion batteries than earlier reported systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗