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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Critical fluid dynamics in two and three dimensions

We describe a numerical method for simulating stochastic fluid dynamics near a critical point in the Ising universality class. This theory is known as model H, and is expected to govern the nonequilibrium dynamics of quantum chromodynamics (QCD) near a possible critical endpoint of the phase transition between a hadron liquid and the quark-gluon plasma. The numerical algorithm is based on a Metropolis scheme, and automatically ensures that the distribution function of the hydrodynamic variables in equilibrium is independent of the transport coefficients and only governed by the microscopic free energy. We verify dynamic scaling near the critical point of a two and three-dimensional fluid and extract the associated critical exponent z. Here, we find z≃3 in three dimensions, and z≃2 for a two-dimensional fluid. In a finite system, we observe a crossover between the mean field value z=4 and the true critical exponent z≃3 (z≃2 in d=2). This crossover is governed by the values of the correlation length and the renormalized shear viscosity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Long-Range Dispersion Governs the Behavior of Near-Critical Fluids: Universal Scaling and Implications for Accurate Molecular Simulation

Computer simulations of near-critical and supercritical fluids often deviate from experimental results, a discrepancy commonly attributed to force-field resolutions and inaccuracies. We demonstrate that these errors primarily stem from using finite cutoff schemes for dispersion interactions, which become effectively long-range as the correlation length grows near the critical point. By employing the smooth particle-mesh Ewald method to account for full long-range dispersion, we show that coarse-grained models can also achieve high quantitative accuracy for n-undecane and propylbenzene. This approach enables the precise determination of density fluctuations and correlation lengths, which exhibit universal critical scaling and depend on the molecular size and shape. Our findings resolve a longstanding debate in molecular simulations of near-critical fluids, establishing that capturing long-wavelength fluctuations is essential for bridging the gap between the microscopic behavior and macroscopic critical phenomena.

Chen, Guang↗
DOE OSTI2023

N-particle irreducible actions for stochastic fluids

We construct one- and two-particle irreducible (1PI and 2PI) effective actions for the stochastic fluid dynamics of a conserved density undergoing diffusive motion. We compute the 1PI action in one-loop order and the 2PI action in two-loop approximation. We derive a set of Schwinger-Dyson equations and regularize the resulting equations using Pauli-Villars fields. We numerically solve the Schwinger-Dyson equations for a non-critical fluid. We find that higher-loop effects summed by the Schwinger-Dyson renormalize the non-linear coupling. We also find indications of a diffuson-cascade, the appearance of n-loop correction with smaller and smaller exponential suppression.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Implications of real-gas behavior on refractive index calculations for optical diagnostics of fuel–air mixing at high pressures

Three models to compute the refractive index of gaseous mixtures at real gas conditions are presented with the purpose to improve the accuracy of state relationships between refractive index and thermodynamic properties. Models are compared with experimental data to determine one that is applicable to high pressure mixtures with non-ideal thermodynamic behavior near or above a fluids’ critical point. The optimal model is applied to analyze adiabatic thermal mixing of fuel and air at typical diesel engine conditions. Our results show that the ideal gas mixture law is appropriate in the vapor region, assuming it is known, for example, from experimental measurements. Finally, the model is applied for binary fuel-air mixing at supercritical conditions to demonstrate its full potential.

02 PETROLEUM↗
DOE OSTI2022

Subsurface stress criticality associated with fluid injection and determined using machine learning

Machine-learning methods and apparatus are disclosed to determine critical state or other parameters related to fluid-driven failure of a terrestrial locale impacted by anthropogenic activities such as hydraulic fracturing, hydrocarbon extraction, wastewater disposal, or geothermal harvesting. Acoustic emission, seismic waves, or other detectable indicators of microscopic processes are sensed. A classifier is trained using time series of microscopic data along with corresponding data of critical state or failure events. In disclosed examples, random forests and artificial neural networks are used, and grid-search or EGO procedures are used for hyperparameter tuning. Once trained, the classifier can be applied to live data from a fluid injection locale in order to assess a frictional state, assess seismic hazard, assess permeability, make predictions regarding a future fluid-driven failure event, or drive engineering solutions for mitigation or remediation. Variations are disclosed.

Johnson, Paul Allan↗
DOE OSTI2024

Simulations of Stochastic Fluid Dynamics near a Critical Point in the Phase Diagram

Here, we present simulations of stochastic fluid dynamics in the vicinity of a critical endpoint belonging to the universality class of the Ising model. This study is motivated by the challenge of modeling the dynamics of critical fluctuations near a conjectured critical endpoint in the phase diagram of quantum chromodynamics (QCD). We focus on the interaction of shear modes with a conserved scalar density, which is known as model H. We show that the observed dynamical scaling behavior depends on the correlation length and the shear viscosity of the fluid. As the correlation length is increased or the viscosity is decreased we observe a crossover from the dynamical exponent of critical diffusion, z≃4, to the expected scaling exponent of model H, z≃3. We use our method to investigate the time-dependent correlation function of non-Gaussian moments M n (t) of the order parameter. We find that the relaxation time depends in a nontrivial manner on the power n.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Systematic study on the phase transition of confined fluid mixture up to the critical region

Systematic experimental study on the phase transition of confined fluids up to the critical region has been performed, in which many new insights have been obtained. For confined pure fluids, compared to the bulk phase, the critical point shifts to lower pressure and temperature, but the relative shift of critical pressure is much larger than that of critical temperature. The behavior of the shift, i.e., the shift as a function of pore size, is dependent on the pore type. For confined fluid mixtures, compared to the bulk phase, the critical point also shifts to lower pressure and temperature, and the relative shift of critical pressure is also much larger than that of critical temperature. Confined fluid mixture behaves similarly to confined pure fluid, i.e., it exhibits hysteresis at lower temperature range and does not exhibit phase coexistence or phase envelope. An equation of state for confined pure fluids, based on the Generalized van der Waals partition function, has also been developed and demonstrated to accurately predict the capillary condensation of simple molecules in MCM-41. The parameters of the equation of state are derived from experimental critical point.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Imaging viscous flow of the Dirac fluid in graphene

The electron–hole plasma in charge-neutral graphene is predicted to realize a quantum critical system in which electrical transport features a universal hydrodynamic description, even at room temperature. This quantum critical ‘Dirac fluid’ is expected to have a shear viscosity close to a minimum bound, with an interparticle scattering rate saturating1 at the Planckian time, the shortest possible timescale for particles to relax. Although electrical transport measurements at finite carrier density are consistent with hydrodynamic electron flow in graphene a clear demonstration of viscous flow at the charge-neutrality point remains elusive. In this work, we directly image viscous Dirac fluid flow in graphene at room temperature by measuring the associated stray magnetic field. Nanoscale magnetic imaging is performed using quantum spin magnetometers realized with nitrogen vacancy centres in diamond. Scanning single-spin and wide-field magnetometry reveal a parabolic Poiseuille profile for electron flow in a high-mobility graphene channel near the charge-neutrality point, establishing the viscous transport of the Dirac fluid. This measurement is in contrast to the conventional uniform flow profile imaged in a metallic conductor and also in a low-mobility graphene channel. Furthermore, via combined imaging and transport measurements, we obtain viscosity and scattering rates, and observe that these quantities are comparable to the universal values expected at quantum criticality. This finding establishes a nearly ideal electron fluid in charge-neutral, high-mobility graphene at room temperature4. Our results will enable the study of hydrodynamic transport in quantum critical fluids relevant to strongly correlated electrons in high-temperature superconductors9. This work also highlights the capability of quantum spin magnetometers to probe correlated electronic phenomena at the nanoscale.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Nanoscale Critical Phenomena in a Complex Fluid Studied by X-ray Photon Correlation Spectroscopy.

The advent of high-speed x-ray photon correlation spectroscopy now allows the study of critical phenomena in fluids to much smaller length scales and over a wider range of temperatures than is possible with dynamic light scattering. We present an x-ray photon correlation spectroscopy study of critical fluctuation dynamics in a complex fluid typical of those used in liquid-liquid extraction (LLE) of ions,dodecane-DMDBTDMA with extracted aqueous Ce(NO 3 ) 3 . We observe good agreement with both staticand dynamic scaling without the need for significant noncritical background corrections. Critical exponents agree with 3D Ising values, and the fluctuation dynamics are described by simple exponential relaxation.The form of the dynamic master curve deviates somewhat from the Kawasaki result, with a more abrupt transition between the critical and noncritical asymptotic behavior. The concepts of critical phenomena thus provide a quantitative framework for understanding the structure and dynamics of LLE systems and a path forward to new LLE processes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Fluid‐Driven Cohesive Strengthening: Critical Role of Reaction Kinetics as the Determinant for Frictional Stability

After an earthquake, faults in the Earth's crust lock up and slowly regain strength. This process, called fault healing, plays a key role in determining how often earthquakes happen and how large they can be. While scientists know that healing involves both mechanical friction and chemical changes in rocks, it has been unclear how these processes work together, especially over shorter timescales in laboratory settings. In our study, we ran controlled experiments on the mineral anhydrite under different fluid conditions. We found that the presence and pressure of water speeds up fault healing by triggering a chemical reaction that strengthens the fault over time. This strengthening makes the fault more resistant to sliding, which could delay future earthquakes—but also sets the stage for larger ones when they do occur. We propose a model that combines frictional and chemical processes to explain this water‐activated, time‐dependent healing. Importantly, our results show that even faults typically considered stable could still produce earthquakes if they undergo sufficient chemical healing. This has broad implications for understanding where and when earthquakes might strike, especially in fluid‐rich environments such as subduction zones and geoenergy settings.

Affinito, R [Pennsylvania State Univ., University ↗
DOE OSTI2022

NEAR CRITICAL POINT TESTING AND PERFORMANCE RESULTS OF A SCO2 COMPRESSOR FOR A 10MWE BRAYTON CYCLE

Development and commercial acceptance of sCO2 Brayton cycles for power generation applications are growing rapidly as they offer performance advantages over other cycles. To maximize the cycle performance, the compressors are designed to operate near the critical point of the working fluid. At the critical point the fluid properties change rapidly with variations in inlet conditions. This makes it challenging to both accurately predict the performance and guarantee the operability of the compressor, as the behavior is affected by these slight variations in inlet conditions. A full scale 1st stage main compressor for a 10MWe-Class recompression Brayton cycle was built and tested to validate performance and operability in this unique operating range. The compressor was tested in a laboratory environment with additional instrumentation, beyond what is required by PTC-10, to minimize the uncertainty in the measured performance. Complete constant speed characteristics were collected at multiple supercritical points, operating at constant inlet conditions for each speed line covering a range of compressor inlet densities from 400 to 600 kg/m3. Variations in the compressor stage efficiency and choke margin were observed, and the overall operability and stability of the compressor in response to changes in operating condition were also monitored. The compressor was shown to have excellent performance that closely matched the original design prediction. The performance at various inlet conditions showed minimal change in isentropic head coefficient at the design flow, but did show some variation in efficiency and choke margin across the map. These changes in performance were observed to be minimal, and did not affect the stable operation of the compressor. The results demonstrate that a commercial scale sCO2 compressor can operate near the critical point and achieve the high levels of performance and stability required for power generation applications.

pelton, rob↗
DOE OSTI2024

Searching for Suitable Binary Fluid for an Ejector Heat Pump for Domestic Water Heating

Water heating is a major source of energy consumption in the U.S. residential sector. Heat pumps can significantly increase the energy efficiency of water heating. An ejector heat pump (EHP) is a novel, thermally driven heat pump that uses an ejector as a thermocompressor. Choosing suitable working fluids is critical in developing high-performance EHPs. Therefore, this research screens binary fluid pairs (BFPs) for EHPs to produce domestic hot water at a high coefficient of performance (COP). The criteria for screening BFP candidates for EHP water heaters (EHPWHs) are established, and BFP candidates are shortlisted. This study identifies HFE7000, Novec649, HFE7100, HFE7200, and HFE7500 for the primary fluids and RE170, R600a, R600, and R1234ze(Z) for the secondary fluids. The thermodynamic model is employed to investigate the performance of EHPWHs using the shortlisted BFPs under various operating parameters, including the evaporation pressure of the primary working fluid in the high-temperature evaporator and the condensation temperature. In conclusion, the highest heating-cycle COP of 1.328 is achieved by an EHPWH operating with HFE7000/R600 at a condenser temperature of 50 °C and a pressure of 1.69 MPa in the high-temperature evaporator.

42 ENGINEERING↗