Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Temperature Regime”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

High temperature and pressure regime soot: Physical, optical and chemical signatures from high explosive detonations

Submicron particles are formed during the detonation and deflagration of carbon-rich energetic materials known as high explosives (HE) that can be lofted and transported long distances in the atmosphere. Particles include refractory species like soot, a.k.a. black carbon (BC), and have impacts to climate and human health at local, regional, and global scales. Here, we contrast detonation soot aerosol physical, optical and chemical properties that are formed more efficiently in terms of emission factors and ratios with traditional combustion sources from biomass burning and fossil fuels. We utilize ambient aerosol techniques for the first time to identify soot from two well-known HE's (1) Comp B-3: 40% trinitrotoluene (TNT) and 60% 1,3,5-trinitro-1,3,5-triazinane (RDX) and (2) PBX 9501: 95% 1,3,5,7-tetranitro-1,3,5,7-tetrazoctane (HMX) with 2.5% Estane and a 2.5% mixture of bis(2,2-dinitropropyl)-acetal (BDNPA) and bis(2,2-dinitropropyl)-formal (BDNPF). Size distributions, optical and chemical properties are presented. Aggregate soot had small mobility diameters (<100 nm) and unique optical and chemical signatures depending on the explosive composite composition, detonation atmosphere (e.g., air, argon) and pressure. Single-scattering albedos (SSA) from 0.3 to 0.8 and absorption Angstrom exponents (AAE) from 0.5 to 2.0 measured across 405–870 nm wavelengths depended on the explosive composite composition and detonation conditions. Comp B-3 detonation soot was similar to other combustion soot sources, whereas PBX 9501 soot had high scattering relative to absorption. Carbonaceous chemical signatures included the presence of fullerenes that were distinct from ambient and laboratory-generated soot surrogates and the detection of trace metals, including aluminum, copper, iron, and zinc.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Intermediate-temperature topological Uhlmann phase on IBM quantum computers

A spin-1 system can exhibit an intermediate-temperature topological regime with a quantized Uhlmann phase sandwiched by topologically trivial low- and high-temperature regimes. We present a quantum circuit consisting of system and ancilla qubits plus a probe qubit which prepares an initial state corresponding to the purified state of a spin-1 system at finite temperature, evolves the system according to the Uhlmann process, and measures the Uhlmann phase via expectation values of the probe qubit. Although classical simulations suggest the quantized Uhlmann phase is observable on International Business Machines (IBM’s) noisy intermediate-scale quantum (NISQ) computers, an implementation of the circuit without any optimization exceeds the gate count for the error budget and results in unresolved signals. Through a series of optimization with Qiskit and BQSKit, the gate count can be substantially reduced, making the jumps of the Uhlmann phase more visible. A recent hardware upgrade of IBM quantum computers further improves the signals and leads to a clearer demonstration of interesting finite-temperature topological phenomena on NISQ hardware.

Mastandrea, Christopher [Univ. of California, Merc↗
DOE OSTI2024

Large $$N_c$$ QCD phase diagram at $$\mu _B=0$$

Abstract Lattice studies suggest that at zero baryon chemical potential and increasing temperature there are three characteristic regimes in QCD that are connected by smooth analytical crossovers: a hadron gas regime at$$T < T_{ch}\sim 155$$ T < T ch ∼ 155 MeV, an intermediate regime, called stringy fluid, at$$T_{ch}< T < \sim 3 T_{ch}$$ T ch < T < ∼ 3 T ch , and a quark-gluon plasma regime at higher temperatures. These regimes have been interpreted to reflect different approximate symmetries and effective degrees of freedom. In the hadron gas the effective degrees of freedom are hadrons and the approximate chiral symmetry of QCD is spontaneously broken. The intermediate regime has been interpreted as lacking spontaneous chiral symmetry breaking along with the emergence of new approximate symmetry, chiral spin symmetry, that is not a symmetry of the Dirac Lagrangian, but is a symmetry of the confining part of the QCD Lagrangian. While the high temperature regime is the usual quark-gluon plasma which is often considered to reflect “deconfinement” in some way. This paper explores the behavior of these regimes of QCD as the number of colors in the theory,$$N_c$$ N c , gets large. In the large$$N_c$$ N c limit the theory is center-symmetric and notions of confinement and deconfinement are unambiguous. The energy density is$$\mathcal{O}(N_c^0)$$ O ( N c 0 ) in the meson gas,$${{\mathcal {O}}}(N_c^1)$$ O ( N c 1 ) in the intermediate regime and$${{\mathcal {O}}}(N_c^2)$$ O ( N c 2 ) in the quark-gluon plasma regime. In the large$$N_c$$ N c limit these regimes may become distinct phases separated by first order phase transitions. The intermediate phase has the peculiar feature that glueballs should exist and have properties that are unchanged from what is seen in the vacuum (up to$$1/N_c $$ 1 / N c corrections), while the ordinary dilute gas of mesons with broken chiral symmetry disappears and approximate chiral spin symmetry should emerge.

Physics↗
DOE OSTI2023

Inherent-state melting and the onset of glassy dynamics in two-dimensional supercooled liquids

Below the onset temperature T o , the equilibrium relaxation time of most glass-forming liquids exhibits glassy dynamics characterized by a super-Arrhenius temperature dependence. In this supercooled regime, the relaxation dynamics also proceeds through localized elastic excitations corresponding to hopping events between inherent states, i.e., potential-energy-minimizing configurations of the liquid. Despite its importance in distinguishing the supercooled regime from the high-temperature regime, the microscopic origin of T o is not yet known. Here, we construct a theory for the onset temperature in two dimensions and find that an inherent-state melting transition, described by the binding–unbinding transition of dipolar elastic excitations, delineates the supercooled regime from the high-temperature regime. The corresponding melting transition temperature is in good agreement with the onset temperature found in various two-dimensional (2D) atomistic models of glass formers and an experimental binary colloidal system confined to a water–air interface. Additionally, we find the predictions for the renormalized elastic moduli to agree with the experimentally observed values for the latter 2D colloidal system. We further discuss the predictions of our theory on the displacement and density correlations at supercooled conditions, which are consistent with observations of the Mermin–Wagner fluctuations in experiments and molecular simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Spectroscopic Signatures of Phonon Character in Molecular Electron Spin Relaxation

Spin–lattice relaxation constitutes a key challenge for the development of quantum technologies, as it destroys superpositions in molecular quantum bits (qubits) and magnetic memory in single molecule magnets (SMMs). Gaining mechanistic insight into the spin relaxation process has proven challenging owing to a lack of spectroscopic observables and contradictions among theoretical models. Here, we use pulse electron paramagnetic resonance (EPR) to profile changes in spin relaxation rates (T 1 ) as a function of both temperature and magnetic field orientation, forming a two-dimensional data matrix. For randomly oriented powder samples, spin relaxation anisotropy changes dramatically with temperature, delineating multiple regimes of relaxation processes for each Cu(II) molecule studied. We show that traditional T 1 fitting approaches cannot reliably extract this information. Single-crystal T 1 anisotropy experiments reveal a surprising change in spin relaxation symmetry between these two regimes. We interpret this switch through the concept of a spin relaxation tensor, enabling discrimination between delocalized lattice phonons and localized molecular vibrations in the two relaxation regimes. Variable-temperature T 1 anisotropy thus provides a unique spectroscopic method to interrogate the character of nuclear motions causing spin relaxation and the loss of quantum information.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Edge radiated temperature fluctuations across confinement regime transitions in favorable and unfavorable drift configurations at ASDEX Upgrade

Abstract The physics behind the difference in heating power threshold for the low to high confinement (L–H) transition between favorable ion B × ∇ B drift (toward active X -point) and unfavorable ion B × ∇ B drift (away from active X -point) magnetic configurations is a longstanding open question. In this work we show differences in edge ( ρ p o l = 0.95 –1.0) turbulence in matched heating power favorable and unfavorable magnetic configuration discharges using a correlation electron cyclotron emission diagnostic to measure radiated temperature ( T r a d ) fluctuations. During power matched L-mode phases, the edge T r a d fluctuations have higher amplitude in the unfavorable configuration plasma as compared to the favorable configuration plasma. The lower fluctuation amplitude in favorable configuration is observed concomitant with increased E × B shear, as compared to the unfavorable case. Although this turbulence is different in amplitude, it is similar in radial and frequency structure between favorable and unfavorable configurations and grows to the weakly coherent mode during the I-mode phase of the unfavorable configuration discharge. A broadband pedestal fluctuation is seen during an inter-ELM H-mode period of the favorable configuration discharge.

Physics↗
DOE OSTI2022

Monitoring of Temperature Measurements for Different Flow Regimes in Water and Galinstan with Long Short-Term Memory Networks and Transfer Learning of Sensors

Temperature sensing is one of the most common measurements of a nuclear reactor monitoring system. The coolant fluid flow in a reactor core depends on the reactor power state. We investigated the monitoring and estimation of the thermocouple time series using machine learning for a range of flow regimes. Measurement data were obtained, in two separate experiments, in a flow loop filled with water and with liquid metal Galinstan. We developed long short-term memory (LSTM) recurrent neural networks (RNNs) for sensor predictions by training on the sensor’s own prior history, and transfer learning LSTM (TL-LSTM) by training on a correlated sensor’s prior history. Sensor cross-correlations were identified by calculating the Pearson correlation coefficient of the time series. The accuracy of LSTM and TL-LSTM predictions of temperature was studied as a function of Reynolds number (Re). The root-mean-square error (RMSE) for the test segment of time series of each sensor was shown to linearly increase with Re for both water and Galinstan fluids. Using linear correlations, we estimated the range of values of Re for which RMSE is smaller than the thermocouple measurement uncertainty. For both water and Galinstan fluids, we showed that both LSTM and TL-LSTM provide reliable estimations of temperature for typical flow regimes in a nuclear reactor. The LSTM runtime was shown to be substantially smaller than the data acquisition rate, which allows for performing estimation and validation of sensor measurements in real time.

Pantopoulou, Stella↗
DOE OSTI2021

Superlubrious high temperature coatings

A low friction wear surface operable at high temperatures and high loads with a coefficient of friction in the superlubric regime including MoS 2 and graphene-oxide on the wear surface is provided, and methods of producing the low friction wear surface are also provided. The low friction wear surface remains with a coefficient of friction in the superlubric regime at temperatures in between about 200° C. and 400° C.

Sumant, Anirudha V.↗
DOE OSTI2020

Limiting Retained Austenite Decomposition in Quenched and Tempered Steels: Influences of Rapid Tempering and Silicon

Tempering reactions are critical to microstructure and property control in martensitic steels. Here, retained austenite decomposition and cementite precipitation are monitored using Mössbauer spectroscopy in 4340 and 300-M steel under conventional and rapid tempering conditions. Tempering times are compared at a constant tempered hardness by increasing tempering temperatures associated with short time conditions to achieve equivalent matrix softening to that of longer tempering times. Time-temperature combinations that provide equivalent tempered hardness generated microstructures with similar dislocation densities and cementite precipitation fractions; these mechanisms are controlled by self-diffusion. However, systematic differences in retained austenite content were observed at a given degree of softening, where shorter tempering times exhibited higher levels of retained austenite compared to more conventional conditions. At low temperatures, the differences in retained austenite preservation between explored time-temperature conditions are attributed to corresponding differences in carbon diffusion distance (in austenite), the controlling diffusional process of retained austenite decomposition. At higher temperatures, retained austenite decomposition exhibits C-curve kinetic behavior in 4340. Thus, reduced thermodynamic driving force for cementite and ferrite formation at higher temperature is believed to play a role in restricting retained austenite decomposition within some short-time, high temperature tempering regimes. The addition of silicon pushes cementite precipitation and retained austenite decomposition to higher temperatures, although retained austenite decomposition is suppressed to a greater extent than cementite precipitation. Potential is illustrated for coupling rapid tempering with silicon alloying to produce appreciably tempered martensite (~490 HV) with relatively less retained austenite decomposition compared to conventional tempering conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A discrete dislocation dynamics study of precipitate bypass mechanisms in nickel-based superalloys

Order strengthening in nickel-based superalloys is associated with the extra stress required for dislocations to bypass the $\gamma'$ precipitates distributed in the $\gamma$ matrix. Depending on the operating conditions and microstructure, a rich variety of bypass mechanism has been identified, with various shearing and Orowan looping processes gradually giving way to climb bypass as the operating conditions change from the low/intermediate temperatures and high stress regime, to the high temperature and low stress regime. When anti phase boundary (APB) shearing and Orowan looping mechanisms operate, the classical picture is that, at for a given volume fraction, the bypass mechanism changes from shearing to looping with increased particle size and within a broad coexistence size window. Another possibility, which is supported by indirect experimental evidence, is that a third “hybrid” transition mechanism may operate. Here, in this paper we use discrete dislocation dynamics (DDD) simulations to study dislocation bypass mechanisms in Ni-based superalloys. We develop a new method to compute generalized stacking fault forces in DDD simulations, based on a concept borrowed from complex analysis and known as the winding number of a closed curve about a point. We use this method to study the mechanisms of bypass of a square lattice of spherical $\gamma'$ precipitates by $a/2\langle110\rangle$ {111} edge dislocations, as a function of the precipitates volume fraction and size. We show that not only the hybrid mechanism is possible, but also that it operates as the transition mechanism between the shearing and looping regimes over a wide range of precipitates volume fraction and radii. Based on our simulation results, we propose a simple model for the strength of this mechanism. We also consider the effects of a $\gamma$/$\gamma'$ lattice misfit on the bypass mechanisms, which we approximate by an additional precipitate stress computed according to Eshelby’s inclusion theory. We show that in the shearing and hybrid looping-shearing regimes, a lattice misfit generally results in an increased bypass stress. For sufficiently high lattice misfit, the critical bypass configuration in attractive dislocation-precipitates interactions changes dramatically, and the bypass stress is controlled by the pinning of the trailing dislocation on the exit side of the precipitates, similar to what has been reported in the high-temperature creep literature.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Influence of conical wire array geometry on plasma flow and temperature profiles of radiatively cooled jets

The influence of conical wire array geometry on the formation and dynamics of pulsed-power driven plasma jets is investigated. In the experiments, the jet becomes isolated from the inflows as it passes through an aperture, allowing the study of its intrinsic evolution for different conical angles. Here, our results show that, regardless of the array opening angle, the jets are supersonic, highly collisional, and exhibit an exponential axial density decay with a characteristic scale length of 𝐿 𝑛 ≈ 3 mm, significantly shorter than the overall length of the jet. In contrast, axial velocity systematically increases with larger array opening angles. The near invariance of the density profile is attributed to a compensating mechanism between geometric divergence and axial acceleration, consistent with an asymptotically steady flow regime. Additionally, temperature measurements reveal ion-electron thermal decoupling near the base of the jet, with equilibration downstream. Analysis of radiative cooling and collisional energy exchange timescales indicates that the plasma evolves in a radiatively stable regime and that the two-temperature profile is fully described by the competition between both methods. These findings provide valuable information into the internal structure and evolution of pulsed-power plasma jets in regimes dominated by geometric shaping and radiative cooling, demonstrating experimental control over flow acceleration and collimation relevant to both laboratory and astrophysical contexts.

Physics - Plasma physics↗
DOE OSTI2024

Shock compression of crystalline TeO 2 to the high-pressure fluid regime: Insights from ab initio molecular dynamics simulations

The shock response of fully-dense and porous crystalline tellurium dioxide (TeO 2 ⁠) to the high-pressure and high-temperature fluid regime was investigated within the framework of density functional theory with Mermin’s generalization to finite temperatures. The principal and porous shock Hugoniot curves were predicted from canonical ab initio molecular dynamics (AIMD) simulations, with the phase space sampled along isotherms up to 80 000 K, for densities ranging from ρ = 3 to 17 g/cm 3 . The polymorphs investigated are α-TeO 2 paratellurite (⁠P4 1 2 1 2), TeO 2 cotunnite (⁠Pnma⁠), and TeO 2 post-cotunnite (⁠P2 1 /m⁠). Based on the discontinuity found in the calculated U s – u p slope of TeO 2 post-cotunnite at a shock velocity of U s ≃ 8.35km/s and a particle velocity of u p ≃ 3.64 km/s, the shock melting temperature and pressure are predicted to be ≃ 6500 K and ≃ 170 GPa. Results from the AIMD simulations are in line with the static compression data of TeO 2 paratellurite and cotunnite, and with the recent shock Hugoniot data for single-crystal α- TeO 2 for pressures up to 85 GPa, obtained using the inclined-mirror method and the velocity interferometer system for any reflector combined with powder gun and two-stage light-gas gun.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Fuel molecular structure effect on autoignition of highly branched iso-alkanes at low-to-intermediate temperatures: Iso-octane versus iso-dodecane

Highly branched iso-alkanes are an important class of hydrocarbons found in conventional petroleum-derived and alternative renewable fuels used for combustion applications. Recognizing that chemical kinetics for most of these iso-alkanes, especially at low-to-intermediate temperatures, has not been well studied, an experimental and modeling investigation of two selected iso-alkanes, iso-octane (2,2,4-trimethylpentane, iC8) and iso-dodecane (2,2,4,6,6-pentamethylheptane, iC12), is conducted to understand the fuel molecular structure effect on their autoignition characteristics. Using a rapid compression machine (RCM), the ignition responses of iC8 and iC12 at varying pressures, temperatures, and equivalence ratios are characterized and compared. The newly-acquired experimental ignition delay times have been compared with the literature RCM and shock tube data, demonstrating the complementary nature of the current dataset. Further comparison of the experimental pressure traces and ignition delay times illustrates the reactivity crossover between iC8 and iC12. Namely, there exists a temperature window in the negative temperature coefficient regime within which iC12 is less reactive than iC8, but iC12 becomes more reactive outside this temperature window. Furthermore, a chemical kinetic model of iso-alkanes including both iC8 and iC12 is developed. Simulated results using this model are then compared to the experimental data obtained in this study and available in the literature, showing its ability to predict the experimental trends. Chemical kinetic analyses have also been conducted to identify the important reaction pathways controlling autoignition at varying conditions, and to elucidate the underlying mechanism leading to different reactivity trends between iC8 and iC12.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

On the thermal oxidation of nuclear graphite relevant to high-temperature gas cooled reactors

Thermal oxidation of nuclear graphite components is highly undesirable because it can cause structural and property degradation that negatively affect a reactor's intended operation. In this work, the body of knowledge of nuclear graphite oxidation is highlighted, including when O 2 , H 2 O, and/or CO 2 are the oxidant. Oxidation conditions relevant to high-temperature gas-cooled reactors (i.e., when oxidation could occur either as an acute or chronic phenomenon) are emphasized. Here, the objective is to summarize graphite oxidation data in a practical and accessible way to inform future research and regulatory requirements. Although each grade of nuclear graphite is different, the oxidation mechanism has underlying commonalities. Although oxidation behavior is grade dependent, the general temperature dependence is well described by a sequence of elementary steps which become rate limiting. Because the regime transition temperature depends on sample microstructure, size, and oxidant supply rate, extrapolating results beyond the experimental range should be done cautiously. Gravimetric oxidation rate measurements generally replicate well. However, caution must be exercised when rates are estimated by other methods or for samples that deviate significantly in size. Air oxidation data for IG-110, NBG-18, and PCEA graphite is critically reviewed to emphasize this point. Despite the amount of experimental data, gaps remain. Sample size and shape effects are not fully explained. Data on the oxidant penetration depth are insufficient. Analytical assessments demonstrate that lower temperature oxidation does not necessarily imply that oxidation is uniform throughout the bulk. Oxidation occurs faster at higher temperature but is more localized to the exposed surface. Paradoxically, at equal mass loss percentage, low temperature oxidation leads to greater property degradation than at high temperature. The isolated effect of oxidation is important; however, a gap remains in the systematic understanding of any potential effect of neutron irradiation on graphite structure and reactivity.

36 MATERIALS SCIENCE↗
DOE OSTI2020

In situ x-ray studies of the incipient ZnO atomic layer deposition on In 0.53 Ga 0.47 As

We describe in detail how ZnO films grow on In 0.53 Ga 0.47 As substrates by atomic layer deposition (ALD), employing a suite of in situ synchrotron x-ray techniques. Combining results from different measurements allows the distinguishment of three different growth behaviors: an initial, slow linear growth, often referred to as a growth delay (regime I), followed by a nonlinear growth (regime II), and finally, a steady, linear growth (regime III), the last of which is the self-limited growth behavior characteristic of ALD. By the end of regime I, the In 0.53 Ga 0.47 As surface is covered with an ultrathin, poorly ordered Zn oxide layer. The transition from regime I to II is clearly evidenced by the appearance in the x-ray absorption spectra of characteristic features of the wurtzite structure, as well as the nucleation and growth of ZnO grains (three-dimensional) on top of the poorly ordered Zn oxide layer. Regime II ends when the growth per cycle reaches a constant level. We show that the water pressure during growth has an impact on the duration of the growth delay (regime I), unlike the substrate temperature. In the regime of steady growth, we observe that the rate of deposition obtained for all temperatures inside the ALD window is 0.17 nm cy(-1). The deposition temperature has clear effects on the film texture and initial crystallization behavior, as well as the final crystallinity and thicknesses of the layers adjacent to the In 0.53 Ga 0.47 As substrate. Based on the experimental results and earlier ab initio calculations and Monte Carlo simulations of ZnO ALD on ZnO, we suggest reaction mechanisms consistent with our findings, and we present a model of growth starting from the very earliest stages of deposition to the steady growth regime.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Recent Accelerated Decadal Shift in Winter North American Temperature Patterns Under Pacific‐Atlantic Decadal Variability

Global warming and internal climate variability have changed winter temperature extreme regimes in North America, affecting droughts and wildfires in the western United States. However, how internal climate variability influences North American winter temperature extreme patterns remains poorly understood. Here, we demonstrate that the recent winter North American surface air temperature (SAT) exhibits an accelerated decadal alternation between Warm West-Cold East (WWCE) and Cold West-Warm East (CWWE) dipoles because their variations show shorter decadal periods during 1990–2022 than during 1950–1989 and are regulated by the Pacific Decadal Oscillation (PDO) variability. While the winter WWCE dipole mainly linked to North Pacific blocking events exhibited a smaller mean amplitude during 1990–2022 than 1950–1989 due to the weakened positive PDO phase during 1990–2022 under the positive phase of the Atlantic Multidecadal Oscillation (AMO), the winter CWWE showed a larger mean amplitude during 1990–2022 due to the stronger negative PDO phase than during 1950–1989. Our results further suggest that the recent rapid decadal shift of North American winter temperatures is primarily attributed to the PDO variability likely due to anthropogenic warming under the positive AMO.

Atlantic Multidecadal Oscillation↗