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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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Dynamic high-temperature Kolsky tension bar techniques

Kolsky tension bar techniques were modified for dynamic high-temperature tensile characterization of thin-sheet alloys. An induction coil heater was used to heat the specimen while a cooling system was applied to keep the bars at room temperature during heating. A preload system was developed to generate a small pretension load in the bar system during heating in order to compensate for the effect of thermal expansion generated in the high-temperature tensile specimen. A laser system was applied to directly measure the displacements at both ends of the tensile specimen in order to calculate the strain in the specimen. A pair of high-sensitivity semiconductor strain gages was used to measure the weak transmitted force due to the low flow stress in the thin specimen at elevated temperatures. As an example, the high-temperature Kolsky tension bar was used to characterize a DOP-26 iridium alloy in high-strain-rate tension at 860 s(-1)/1030 degrees C.

Song, Bo↗
DOE OSTI2012

Response to 'Comment on 'Elastic incoherent neutron scattering operating by varying instrumental energy resolution: Principle, simulations, and experiments of the resolution elastic neutron scattering (RENS)'' [Rev. Sci. Instrum. 83, 107101 (2012)]

Recently [S. Magazu et al., Rev. Sci. Instrum. 82, 105115 (2011)] we have proposed a new method for characterizing, by neutron scattering, the dynamical properties of complex material systems, such as, the ones of interest in the biophysical field. This approach called Resolution Elastic Neutron Scattering, in short RENS, is based on the detection of the elastically scattered neutron intensity as a function of the instrumental energy resolution. By experimental, theoretical, and numerical findings, we have pointed out that an inflection point occurs in the elastic intensity when the system relaxation time approaches the instrumental energy resolution time. This approach, differently from quasi-elastic neutron scattering (QENS), gives the chance to evaluate the system relaxation times without using pre-defined models that can be wrong and/or misleading. Here, we reply to a Comment on the above-mentioned main paper in which Wuttke proposes a different approach to evaluate the above-mentioned inflection point; on this regard, it should be noticed that the existence of the inflection point, which is the main topic of our work, is not questioned and that the approach proposed by Wuttke in the Comment, although valid for a class of dynamical processes, is not applicable when different and distinct processes occur simultaneously at different time scale.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Ultrafast energy transfer from rigid, branched side-chains into a conjugated, alternating copolymer

We present the synthesis and characterization of a benzodithiophene/thiophene alternating copolymer decorated with rigid, singly branched pendant side chains. We characterize exciton migration and recombination dynamics in these molecules in tetrahydrofuran solution, using a combination of static and time-resolved spectroscopies. As control experiments, we also measure electronic relaxation dynamics in isolated molecular analogues of both the side chain and polymer moieties. We employ semi-empirical and time-dependent density functional theory calculations to show that photoexcitation of the decorated copolymer using 395 nm laser pulses results in excited states primarily localized on the pendant side chains. We use ultrafast transient absorption spectroscopy to show that excitations are transferred to the polymer backbone faster than the instrumental response function, ∼250 fs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Ligand manipulation of charge transfer excited state relaxation and spin crossover in [Fe(2,2′-bipyridine)2(CN)2]

We have used femtosecond resolution UV-visible and Kβ x-ray emission spectroscopy to characterize the electronic excited state dynamics of [Fe(bpy)2(CN)2], where bpy=2,2′-bipyridine, initiated by metal-to-ligand charge transfer (MLCT) excitation. The excited-state absorption in the transient UV-visible spectra, associated with the 2,2′-bipyridine radical anion, provides a robust marker for the MLCT excited state, while the transient Kβ x-ray emission spectra provide a clear measure of intermediate and high spin metal-centered excited states. From these measurements, we conclude that the MLCT state of [Fe(bpy)2(CN)2] undergoes ultrafast spin crossover to a metal-centered quintet excited state through a short lived metal-centered triplet transient species. These measurements of [Fe(bpy)2(CN)2] complement prior measurement performed on [Fe(bpy)3]2+ and [Fe(bpy)(CN)4]2− in dimethylsulfoxide solution and help complete the chemical series [Fe(bpy)N(CN)6–2N]2N-4, where N = 1–3. The measurements confirm that simple ligand modifications can significantly change the relaxation pathways and excited state lifetimes and support the further investigation of light harvesting and photocatalytic applications of 3d transition metal complexes.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Experimental and theoretical studies of the reactions of ground-state sulfur atoms with hydrogen and deuterium

The gas-phase kinetics of S( 3 P) atoms with H 2 and D 2 have been studied via the laser flash photolysis—resonance fluorescence technique. S atoms were generated by pulsed photolysis of CS 2 at 193 nm and monitored by time-resolved fluorescence at 181 nm. The rate coefficients for H 2 ( k 1 ) and D 2 ( k 2 ), respectively, are summarized as k 1 (600-1110 K) = 3.0 × 10 –9 exp(– 1.317×10 5 –2.703×10 7 K/ T / 8.314 T/K ) cm 3 molecule –1 s –1 and k 2 (770-1110 K) = 2.2 × 10 –14 ( T /298 K) 3.55 exp(–5420 K/T) cm 3 molecule –1 s –1 . Error limits are discussed in the text. The rate coefficients for formation of SH(SD) + H(D) on a newly developed triplet potential energy surface were characterized via ring polymer molecular dynamics and canonical variational transition-state theory. Furthermore there is excellent agreement above about 1000 K between theory and experiment. At lower temperatures, the experimental rate coefficient is substantially larger than the results computed for the adiabatic reaction, suggesting a significant role for intersystem crossing to the singlet potential energy surface at lower temperatures.

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

Fingerprints of hydrogen bonding in the terahertz dynamics of ethanol and water: An inelastic x-ray scattering study

Here, we used inelastic x-ray scattering methods to measure the terahertz spectrum of density fluctuations of ethanol in both liquid and solid phases. The results of a Bayesian inference-based lineshape analysis with a multiple excitation model and the comparison with a previous similar analysis on water indicate that the different structures induced by hydrogen bonds in ethanol and water have a profound influence on the respective dynamic responses, the latter being characterized by longer living and better resolved high-frequency acoustic excitations. In addition, we compare these findings with those obtained with an alternative approach based on the exponential expansion theory and ensuring sum rules fulfillment, demonstrating that the model’s choice directly impacts the number of spectral modes detected.

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

Scientific machine learning for modeling and simulating complex fluids

The formulation of rheological constitutive equations—models that relate internal stresses and deformations in complex fluids—is a critical step in the engineering of systems involving soft materials. While data-driven models provide accessible alternatives to expensive first-principles models and less accurate empirical models in many engineering disciplines, the development of similar models for complex fluids has lagged. The diversity of techniques for characterizing non-Newtonian fluid dynamics creates a challenge for classical machine learning approaches, which require uniformly structured training data. Consequently, early machine-learning based constitutive equations have not been portable between different deformation protocols or mechanical observables. Here, we present a data-driven framework that resolves such issues, allowing rheologists to construct learnable models that incorporate essential physical information, while remaining agnostic to details regarding particular experimental protocols or flow kinematics. These scientific machine learning models incorporate a universal approximator within a materially objective tensorial constitutive framework. By construction, these models respect physical constraints, such as frame-invariance and tensor symmetry, required by continuum mechanics. We demonstrate that this framework facilitates the rapid discovery of accurate constitutive equations from limited data and that the learned models may be used to describe more kinematically complex flows. This inherent flexibility admits the application of these “digital fluid twins” to a range of material systems and engineering problems. We illustrate this flexibility by deploying a trained model within a multidimensional computational fluid dynamics simulation—a task that is not achievable using any previously developed data-driven rheological equation of state.

Science & Technology - Other Topics↗
DOE OSTI2025

3D pattern formation of a protein–membrane suspension

Many essential cellular processes, including cell division and the establishment of cell polarity during embryogenesis, are regulated by pattern-forming proteins. These proteins often need to bind to a substrate, such as the cell membrane, onto which they interact and form two-dimensional (2D) patterns. It is unclear how the membrane’s continuity and dimensionality impact pattern formation. Here, we address this gap using the MinDE system, a prototypical example of pattern-forming membrane proteins. We show that when the lipid substrate is fragmented into submicrometer-sized diffusive liposomes, adenosine triphosphate-driven protein–protein interactions generate three-dimensional (3D) spatially extended patterns, despite the complete loss of membrane continuity. Remarkably, these 3D patterns emerge at scales four orders of magnitude larger than the individual liposomes. By systematically varying protein concentration, liposome size, and density, we observed and characterized a variety of 3D dynamical patterns not seen on continuous 2D membranes, including traveling waves, dynamical spirals, and a coexistence phase. Simulations and linear stability analysis of a coarse-grained model revealed that the physical properties of the dispersed membrane effectively rescale both the protein–membrane binding rates and diffusion, two key parameters governing pattern formation and wavelength selection. These findings highlight the robustness of Min’s pattern-forming ability, suggesting that protein–membrane suspensions could serve as an adaptable template for studying out-of-equilibrium self-organization in 3D, beyond in vivo contexts.

36 MATERIALS SCIENCE↗
DOE OSTI2020

ROM-Based Surrogate Systems Modeling of EBR-II

We report the System Analysis Module (SAM), developed and maintained by Argonne National Laboratory, is designed to provide whole-plant transient safety analysis capabilities for a number of advanced non-light water reactors, including sodium-cooled fast reactor (SFR), lead-cooled fast reactor (LFR), and molten salt reactor (MSR)/fluoride-salt-cooled high-temperature reactor (FHR) designs. SAM is primarily constructed as a systems-level analysis tool, with the potential to incorporate reduced order models from three-dimensional computational fluid dynamics (CFD) simulations to improve characterization of complex, multidimensional physics. It is recognized that the computational expense associated with CFD can be intractable for various engineering analyses, such as uncertainty quantification, inference, and design optimization. This paper explores the reducibility of a SAM model using recent advances in randomized linear algebra techniques, which attempt to find recurring patterns in the various realizations generated by a model after randomly perturbing all its input parameters. The reduction is described in terms of fewer degrees of freedom (DOFs), referred to as the active DOFs, for the model variables such as input model parameters and model responses. The results indicate that there is significant room for additional reduction that may be leveraged for additional computational gains when employing SAM for engineering-intensive analyses that require repeated model executions. Different from physics-based reduction approaches, the proposed approach allows one to estimate upper bounds on the reduction errors, which are rigorously developed in this work. Finally, different methods for surrogate model construction, such as regression and neural network-based training, are employed to correlate the input and output active DOFs, which are related back to the original variables using matrix-based linear transformations.

42 ENGINEERING↗
DOE OSTI2012

Non-Gaussianities in the cosmological perturbation spectrum due to primordial anisotropy II

We continue to investigate possible signatures of a pre-inflationary anisotropic phase in two-point and three point correlation functions of the curvature perturbation for high-momentum modes which exit the horizon well after isotropization. The late time dynamics of these modes is characterized by a non-Bunch Davies vacuum state which encodes all the information about initial anisotropy in the background space-time. We observe that, unlike the non-planar momenta, there exist regimes of planar momenta for which scale invariance of the power spectrum is strongly broken. This regime of planar momenta gives rise to enhanced non-Gaussianity in certain squeezed triangle configurations, although the enhancement of the f{sub NL} parameter is limited by the breakdown of linear perturbation theory at ''exact planarity{sup .} Finally, we demonstrate that for the range of planar modes for which scale invariance of the power spectrum is preserved, non-Gaussianity in the curvature perturbation spectrum is naturally constrained to be extremely small.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Morphodynamics of Fluid-Fluid Displacement in Three-Dimensional Deformable Granular Media

We study experimentally the displacement of one fluid by another in a granular pack to uncover relationships between fluid invasion and medium deformation. We develop an experimental setup that allows us to reconstruct the coupled invasion-deformation dynamics in 3D. We simultaneously characterize the fluid invasion pattern and document a transition from fluid-fluid displacement in pores to the formation of conduits by grain motion. We rationalize the findings in terms of a simple poromechanics model that indeed captures this transition as a result of the balance between viscous and frictional forces. Furthermore these results contribute to elucidating the role of three dimensionality in the timing, mode, and morphology of fluid-fluid displacement and injection-induced deformation in porous media.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Universal model of Floquet operator Krylov space

It is shown that the stroboscopic time evolution under a Floquet unitary, in any spatial dimension, and of any Hermitian operator, can be mapped to an operator Krylov space, which is identical to that generated by the edge operator of the noninteracting Floquet transverse-field Ising model (TFIM) in one-spatial dimension, and with inhomogeneous Ising and transverse field couplings. The latter has four topological phases reflected by the absence (topologically trivial) or presence (topologically nontrivial) of edge modes at 0 and/or π quasienergies. It is shown that the Floquet dynamics share certain universal features characterized by how the Krylov parameters vary in the topological phase diagram of the Floquet TFIM with homogeneous couplings. Furthermore, these results are highlighted through examples, all chosen for numerical convenience to be in one spatial dimension: nonintegrable Floquet spin 1/2 chains and Floquet Z 3 clock model where the latter hosts period-tripled edge modes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2010

Hybrid method for understanding black-hole mergers: Head-on case

Black-hole-binary coalescence is often divided into three stages: inspiral, merger, and ringdown. The post-Newtonian (PN) approximation treats the inspiral phase, black-hole perturbation (BHP) theory describes the ringdown, and the nonlinear dynamics of space-time characterize the merger. In this paper, we introduce a hybrid method that incorporates elements of PN and BHP theories, and we apply it to the head-on collision of black holes with transverse, antiparallel spins. We compare our approximation technique with a full numerical-relativity simulation, and we find good agreement between the gravitational waveforms and the radiated energy and momentum. Our results suggest that PN and BHP theories may suffice to explain the main features of outgoing gravitational radiation for head-on mergers. This would further imply that linear perturbations to exact black-hole solutions can capture the nonlinear aspects of head-on binary-black-hole mergers accessible to observers far from the collision.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2010

Threshold Phenomena in a Throbbing Complex Plasma

In complex plasmas, the trapped dust particle cloud is often characterized by a central dust-free region ('void'). The void induces a spatial inhomogeneity of the dust particle distribution and is at the origin of many intricate unstable phenomena. One type of this kind of behavior is the so-called heartbeat instability consisting of successive contractions and expansions of the void. This instability is characterized by a strong nonlinear dynamics which can reveal the occurrence of incomplete sequences corresponding to failed contractions. Experimental results based on high-speed imaging are presented for the first time and underline this threshold effect in both the dust cloud motion and the evolution of the plasma light emission.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Ballistic protons in incoherent exclusive vector meson production as a measure of rare parton fluctuations at an electron-ion collider

We argue that the proton multiplicities measured in Roman pot detectors at an electron ion collider can be used to determine centrality classes in incoherent diffractive scattering. Incoherent diffraction probes the fluctuations in the interaction strengths of multi-parton Fock states in the nuclear wavefunctions. In particular, the saturation scale that characterizes this multi-parton dynamics is significantly larger in central events relative to minimum bias events. As an application, we examine the centrality dependence of incoherent diffractive vector meson production. We identify an observable which is simultaneously very sensitive to centrality triggered parton fluctuations and insensitive to details of the model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Robot for Investigations and Assessments of Nuclear Areas

RIANA is a remote controlled Robot dedicated for Investigations and Assessments of Nuclear Areas. The development of RIANA is motivated by the need to have at disposal a proven robot, tested in hot cells; a robot capable of remotely investigate and characterise the inside of nuclear facilities in order to collect efficiently all the required data in the shortest possible time. It is based on a wireless medium sized remote carrier that may carry a wide variety of interchangeable modules, sensors and tools. It is easily customised to match specific requirements and quickly configured depending on the mission and the operator's preferences. RIANA integrates localisation and navigation systems. The robot will be able to generate / update a 2D map of its surrounding and exploring areas. The position of the robot is given accurately on the map. Furthermore, the robot will be able to autonomously calculate, define and follow a trajectory between 2 points taking into account its environment and obstacles. The robot is configurable to manage obstacles and restrict access to forbidden areas. RIANA allows an advanced control of modules, sensors and tools; all collected data (radiological and measured data) are displayed in real time in different format (chart, on the generated map...) and stored in a single place so that may be exported in a convenient format for data processing. This modular design gives RIANA the flexibility to perform multiple investigation missions where humans cannot work such as: visual inspections, dynamic localization and 2D mapping, characterizations and nuclear measurements of floor and walls, non destructive testing, samples collection: solid and liquid. The benefits of using RIANA are: - reducing the personnel exposures by limiting the manual intervention time, - minimizing the time and reducing the cost of investigation operations, - providing critical inputs to set up and optimize cleanup and dismantling operations. (authors)

42 ENGINEERING↗
DOE OSTI2022

Characterizing Minimum Admissible Separation Distances in Heavy Duty Vehicle Platoons

Heavy duty (HD) vehicles platooning under highway operating conditions, have been projected to provide significant fuel economy (FE) gains based on aerodynamic drag reduction of the platooning vehicles. Realizing these benefits under real-world operating conditions have several challenges. This paper (the second as part of series) quantifies the minimum admissible separation distance between platooning vehicles in HD commercial vehicle (CV) applications. This distance must be set up such that no collision occurs with leading vehicles under all deceleration conditions. In this paper key interactions to characterize this distance are demonstrated. These include, road surface conditions, grade, inter-vehicle communication delays, air-brake lag time, vehicle speed, weight, and aerodynamic drag. It is seen that characterizing the vehicle and road dynamics will be critical in establishing required deceleration or stopping distances for each vehicle in a platoon. The results of the study also necessitate vehicle control systems that can dynamically adjust not only the separation distances but also the braking reference points based on road conditions. The narrative provides application decision personnel with a well-defined set of admissible separation distance impact factors to consider as part of their architecture selection process.

Sujan, Vivek↗
DOE OSTI2020

Characterization and equalization of intensity-modulated voltage sensors

We test fiber-optic voltage sensors based on reflection from a piezoelectric transducer. Detailed characterization confirms a 60 dB dynamic range, and our equalization approach accurately recovers transient excitations, indicating the versatility of this sensor design in electric grid monitoring.

Lukens, Joseph↗