Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “time dependent behavior”

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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Temperature dependence of resistivity of carbon micro/nanostructures: Microscale spatial distribution with mixed metallic and semiconductive behaviors

The temperature coefficient of resistivity (θ T ) of carbon-based materials is a critical property that directly determines their electrical response upon thermal impulses. It could have metal- (positive) or semiconductor-like (negative) behavior, depending on the combined temperature dependence of electron density and electron scattering. Its distribution in space is very difficult to measure and is rarely studied. Here, for the first time, we report that carbon-based micro/nanoscale structures have a strong non-uniform spatial distribution of θ T . This distribution is probed by measuring the transient electro-thermal response of the material under extremely localized step laser heating and scanning, which magnifies the local θ T effect in the measured transient voltage evolution. For carbon microfibers (CMFs), after electrical current annealing, θ T varies from negative to positive from the sample end to the center with a magnitude change of >130% over <1 mm. This θ T sign change is confirmed by directly testing smaller segments from different regions of an annealed CMF. For micro-thick carbon nanotube bundles, θ T is found to have a relative change of >125% within a length of ~2 mm, uncovering strong metallic to semiconductive behavior change in space. In conclusion, our θ T scanning technique can be readily extended to nm-thick samples with μm scanning resolution to explore the distribution of θ T and provide a deep insight into the local electron conduction.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Simulation and generalized Langevin equation study of lipid subdiffusion in biomembrane phases

In biomembranes lipid mobility exhibits deviations from the classical diffusive behavior of Brownian particles, i.e. ‘anomalous’ diffusion. The question arises as to how this anomalous diffusive behavior varies in gel, ripple, and fluid biomembrane phases. Here, in this study, we perform all-atom molecular dynamics (MD) simulations of dimyristoylphosphatidylcholine (DMPC) bilayers in the three different phases and analyze the results using the framework of the Generalized Langevin Equation (GLE). This analysis emphasizes sub-diffusive behavior on the relatively short, picosecond-nanosecond timescales, capturing local molecular constraints and transient caging effects during the crossover of atomic dynamics from vibrational to incipient anharmonic motion. The ripple and gel phases are found to exhibit strong transient caging and prolonged memory effects resulting in distinct sub-diffusive behavior. The role of hydrogen bonding in lipid confinement is also examined, demonstrating its influence on phase-dependent molecular ordering and on short-time diffusional constraints. These findings demonstrate the GLE framework’s utility in characterizing molecular transport and lipid dynamics, with implications for longer timescale membrane dynamics.

Malik, Sheeba [Oak Ridge National Laboratory (ORNL↗
DOE OSTI2021

Linear and nonlinear viscoelasticity of concentrated thermoresponsive microgel suspensions

We present an integrated experimental and theoretical study of the dynamics and rheology of self-crosslinked, slightly charged, temperature responsive soft poly(N-isopropylacrylamide) (pNIPAM) microgels over a wide range of concentration and temperature spanning the sharp change in particle size and intermolecular interactions across the lower critical solution temperature (LCST). Dramatic, non-monotonic changes in viscoelasticity are observed as a function of temperature, with distinct concentration dependence in the dense fluid, glassy, and soft-jammed regimes. Motivated by our experimental observations, we formulate a minimalistic model for the size dependence of a single microgel particle and the change of the interparticle interaction from purely repulsive to attractive upon heating. Using microscopic equilibrium and time-dependent statistical mechanical theories, theoretical predictions are quantitatively compared with experimental measurements of the shear modulus. Good agreement is found for the nonmonotonic temperature behavior that originates as a consequence of the competition between reduced microgel packing fraction and increasing interparticle attractions. Furthermore, testable predictions are made for nonlinear rheological properties such as the yield stress and strain. To our knowledge, this is the first attempt to quantitatively understand in a unified manner the viscoelasticity of dense, temperature-responsive microgel suspensions spanning a wide range of temperatures and concentrations.

42 ENGINEERING↗
DOE OSTI2025

Directional Variations in Tidal Flow Multifractality and Intermittency

We explored distinct directional variations of multifractal and intermittent characteristics of ebb and flood flow velocities at nodule point, WA, tidal energy site, and complementary inspection on the East River, NY using scaling exponents of the structure function, distribution flatness, detrending moving average (DMA) analysis, multifractal detrended fluctuation analysis (MF-DFA), and high-order spectral moments. Our findings reveal that tidal flow presents higher long-range dependence (LRD) and intermittent levels for the ebb flow sections, whereas the flood flow sections exhibit a higher degree of multifractality and greater sensitivity to larger magnitude of turbulent fluctuations. We demonstrate that long-range dependence predominantly contributes to multifractal behavior in both ebb and flood flows, as evidenced by the significantly reduced multifractal spectrum width for temporally randomly permuted time series. Moreover, spectral kurtosis analysis uncovers a higher intermittent level across all frequency scales for ebb flow sections and reveals a distinct pattern of tidal flow intermittency differing from the monotonically increasing intermittent level observed in wall-bounded and grid turbulence. Finally, we demonstrate that DMA, MF-DFA, and high-order spectral moments provide more comprehensive insights than structure function scaling exponents and PDF flatness methods.

Cheng, Shyuan [Univ. of Illinois at Urbana-Champai↗
DOE OSTI2020

Corrosion of Commercial Mg–Al Alloys: AZ31B, AM60, and AZ91D

Aqueous corrosion, atmospheric corrosion, and ionic liquid dissolution studies were performed on commercial alloys AZ31B, AM60, and AZ91D and compared with previously reported results for single-phase binary Mg–Al alloys containing similar Al concentrations (αMg-2 at% Al, αMg-5 at% Al, and Mg-8 at% Al). Polarization studies in 0.6 M NaCl were used to characterize the aqueous free corrosion behavior during 20-h free immersion. Accelerated corrosion testing was performed using a rotating-disk electrode which revealed the evolution of an Al-rich mud-cracking and platelet morphology. Atmospheric droplet testing showed rapid pH increases that depended on the Al concentration in the alloy. Time-dependent contact angle measurements showed that the degree of droplet wetting increased during free corrosion by ~50° over 20 h in 0.6 M NaCl. Ionic liquid dissolution studies in 1:2 M choline chloride:urea deep eutectic solvent were performed in order to examine the current-voltage behavior of these alloys in the absence of water and hydrogen reduction. The results of these studies revealed the formation of nanowire corrosion morphologies within a honeycomb lattice structure which we attribute to selective dissolution of Mg via a two-dimensional stepflow process

25 ENERGY STORAGE↗
NASA NTRS1987

Lava flows as kinematic waves

A recently proposed model for the emplacement of lava flows is reinterpreted as a kinematic wave theory for the depth of the flow. Explicit kinematic wave solutions and their properties are derived for three time-dependent boundary conditions of practical interest. These boundary conditions correspond to effusion rates that decrease, increase, and crest and broadly reflect types of eruption behavior documented in the geologic literature. Particular attention is given to the way source behavior propagates along the flow in relation to the advance of the flow itself.

Baloga, Stephen↗
NASA NTRS1990

Ignition transient analysis of solid rocket motor

To predict pressure-time and thrust-time behavior of solid rocket motors, a one-dimensional numerical model is developed. The ignition phase of solid rocket motors (time less than 0.4 sec) depends critically on complex interactions among many elements, such as rocket geometry, heat and mass transfer, flow development, and chemical reactions. The present model solves the mass, momentum, and energy equations governing the transfer processes in the rocket chamber as well as the attached converging-diverging nozzle. A qualitative agreement with the SRM test data in terms of head-end pressure gradient and the total thrust build-up is obtained. Numerical results show that the burning rate in the star-segmented head-end section and the erosive burning are two important parameters in the ignition transient of the solid rocket motor (SRM).

Han, Samuel S.↗
NASA NTRS1991

Modeling multi-frequency diurnal backscatter from a walnut orchard

The Michigan Microwave Canopy Scattering Model (MIMICS) is used to model scatterometer data that were obtained during the August 1987 EOS (Earth Observing System) synergism study. During this experiment, truck-based scatterometers were used to measure radar backscatter from a walnut orchard in Fresno County, California. Multipolarized L- and X-band data were recorded for orchard plots for which dielectric and evapotranspiration characteristics were monitored. MIMICS is used to model a multiangle data set in which a single orchard plot was observed at varying impedance angles and a series of diurnal measurements in which backscatter from this same plot was measured continuously over several 24-h periods. MIMICS accounts for variations in canopy backscatter driven by changes in canopy state that occur diurnally as well as on longer time scales. L-band backscatter is dependent not only on properties of the vegetation but also on properties of the underlying soil surface. The behavior of the X-band backscatter is dominated by properties of the tree crowns.

Mcdonald, Kyle C.↗
NASA NTRS1999

Erosion of Terrestrial Rift Flank Topography: A Quantitative Study

Many rifted or passive continental margins feature a seaward-facing erosional escarpment which abruptly demarcates deeply weathered, low relief, interior uplands from a deeply incised, high relief coastal zone. It is generally accepted that these escarpments originate at the time of continental rifting and propagate inland through the elevated rift flank topography at rates on the order of 1 km/Myr over the course of a margin's history. Considering the length of passive margins worldwide and an average rift flank plateau height of several hundred meters, it is clear that sediment eroded from passive margins is an important component of the mass flux from continents to oceans through geologic time. The overall goal of the research reported here is to develop a quantitative understanding of the kinematics of escarpment propagation across passive margins and the underlying geological processes responsible for this behavior. Plateau-bounding escarpments in general exhibit two basic forms depending on the direction of surface water drainage on the plateau interior relative to the escarpment. Where surface water flows away from the escarpment, the escarpment takes the form of subdued embayments and promontories, such that its overall trend remains fairly straight as it evolves with time. Where upland streams flow across the escarpment, it takes the form of dramatic, narrow gorges whose heads appear to propagate up the plateau drainage systems as large-scale knickpoints. From work on the Colorado Plateau, Schmidt (1987) noted that the Colorado River is located much closer to the Grand Canyon's south rim, a drainage divide escarpment, than to the north rim, which is a gorge-like escarpment. The main implication is that the gorge-like form might be associated with higher long-term average erosion rates compared to the drainage divide escarpment type.

Weissel, Jeffrey K.↗
NASA NTRS1994

Dynamics of Numerics and CFD

This lecture attempts to illustrate the basic ideas of how the recent advances in nonlinear dynamical systems theory (dynamics) can provide new insights into the understanding of numerical algorithms used in solving nonlinear differential equations (DEs). Examples will be given of the use of dynamics to explain unusual phenomena that occur in numerics. The inadequacy of the use of linearized analysis for the understanding of long time behavior of nonlinear problems will be illustrated, and the role of dynamics in studying the nonlinear stability, accuracy, convergence property and efficiency of using time- dependent approaches to obtaining steady-state numerical solutions in computational fluid dynamics (CFD) will briefly be explained.

Yee, H. C.↗
DOE OSTI2022

Frequency-domain vs time-domain SP{sub N} equations to simulate neutron noise

Inside the reactor core mechanical vibrations of fuel assemblies can produce high fluctuations around a steady-state configuration, known as neutron noise. This effect can cause the triggering of power reduction measures. Classically, diffusion theory has been used to simulate this behavior. However, this equation has some limitations if the materials of the reactor have strong variations. In this work, we use the diffusive time-dependent simplified spherical harmonics equations that improve the previous results without the necessity of using high computational requirements. In particular, two types of analyses with these equations (SP{sub 3}) are made: a frequency-domain and a time-domain. A numerical neutron noise benchmark tests the methodology and compare both formulations. First, numerical results show a good agreement between the amplitudes and phases of the SP3 equations computed with the frequency-domain and time-domain. Therefore, as the frequency-domain computation only requires to solve a linear system, it is a recommendable option for neutron noise computations. Second, one can conclude that for this type of nuclear systems, where the assemblies are not homogenized, the SP{sub 3} approximation results improve considerably the accuracy of the diffusion theory.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Atomic Diffusion, Segregation, and Grain Boundary Migration in Nickel-Based Alloys from Molecular Dynamics Simulations

Grain boundary diffusion and metal mobility in alloys control material performance in many applications and yet remain poorly understood at a mechanistic level. With advances in accessible time and length scales for computational molecular simulations, and recent force field developments, we now possess tools to help unravel those mechanisms. Using large-scale molecular dynamics simulations, here we examined vacancy-mediated diffusion processes in Ni-5Cr alloy with low and high-energy grain boundaries. We show that atomic diffusion inside the grain boundary plane is about four times higher than bulk diffusion, at any temperature, and exhibits a typical Arrhenius behavior with a very small energy barrier (0~.8 eV for Cr and 0.7 eV for Ni within 1300-1600 K). Additionally, the fastest diffusing species inverts; Cr diffusion was faster than Ni in the bulk but slower in the grain boundaries. This is attributed to the creation of high cohesive energy clusters of Cr at the grain boundary. Grain boundary migration was also observed to be temperature dependent and appears to be two times higher in the 5% Cr alloy than in pure Ni, highlighting the important role of the alloying element on grain boundary motion.

Simonnin, Pauline GN↗
NASA NTRS1989

Blow-up of unsteady two-dimensional Euler and Navier-Stokes solutions having stagnation-point form

The time-dependent form of the classic, two-dimensional stagnation-point solution of the Navier-Stokes equations is considered. If the viscosity is zero, a class of solutions of the initial-value problem can be found in closed form using Lagrangian coordinates. These solutions exhibit singular behavior in finite time, because of the infinite domain and unbounded initial vorticity. Thus, the blow-up found by Stuart in three dimensions using the stagnation-point form, also occurs in two. The singularity vanishes under a discrete, finite-dimensional 'point vortex' approximation, but is recovered as the number of vortices tends to infinity. We find that a small positive viscosity does not arrest the breakdown, but does strongly alter its form. Similar results are summarized for certain Boussinesq stratified flows.

Childress, S.↗
DOE OSTI2020

Real-Time Time-Dependent Electronic Structure Theory

Real-time electronic structure methods provide an unprecedented view of electron dynamics and ultrafast spectroscopy on the atto- and femtosecond time scale with vast potential to yield new insights into the electronic behavior of molecules and materials. Here, we discuss the fundamental theory underlying various real-time electronic structure methods as well as advantages and disadvantages of each. We give an overview of the numerical techniques that are widely used for real-time propagation of the quantum electron dynamics with an emphasis on Gaussian basis set methods. We also showcase many of the chemical applications and scientific advances made by using real-time electronic structure calculations and provide an outlook of possible new directions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Numerical Model for Isothermal and Non-Isothermal Crystallization of Liquids and Glasses

A new numerical model of isothermal and non-isothermal first order phase transformations, such as the crystallization of liquids and glasses, is presented. This model computes directly the volume fraction transformed, taking into account time-dependent nucleation rates and cluster-size-dependent growth velocities. The model is applied to the crystallization of lithium disilicate glass, using the appropriate kinetic and thermodynamic parameters. The model is used (1) to determine the validity of common methods for computing the volume fraction transformed as a function of time in isothermal experiments when a time-dependent nucleation rate is expected, (2) to simulate non-isothermal differential scanning calorimetry (DSC) studies of glass devitrification as a function of scan rate, and (3) to compute the effect of preannealing on the DSC peak parameters. A novel behavior of the nucleation rate with scan rate is predicted, arising because the relaxation of the cluster distribution cannot be described by a single relaxation time. Comparisons of the calculations with experimental data on this glass demonstrate the validity of the model.

Kelton, K. F.↗
DOE OSTI2026

Challenges in Pulsed-Field Gradient Nuclear Magnetic Resonance on Magnetically Heterogeneous Interfaces: Sequence and Field-Dependent Apparent Diffusion Coefficients

It is well known that the internal gradient (gi) that exists within pores haunts the diffusion coefficient (D) as measured by the pulsed-field gradient (PFG) nuclear magnetic resonance (NMR). Several PFG-NMR methods developed to determine an accurate D were not successful. Then, the steady-state diffusion coefficient (Dapp,8) for the cation [C4mim]+ of [C4mim][Tf2N]; [1-butyl-3-methylimidazolium][bis(trifluoromethylsulfonyl)imde] ionic liquid confined in ordered mesoporous carbon (OMC) were determined by comparing Dapp,8 obtained from 1H PFG-NMR performed with three different stimulated echo sequences: STE, APFG, and MPFG under the two external magnetic field strength, B0 = 9.4 and 14.1 Tesla. The measured Dapp,8 which is an order of magnitude smaller than D of bulk [C4mim][Tf2N], is in good agreement between APFG and MPFG both in B0 = 9.4 and 14.1 Tesla. However, the strong gi artifact, which caused apparent diffusion coefficient (Dapp) depending strongly and weakly on B0 and temperature, respectively, in diffusion-time dependent Dapp, Dapp(?) obtained from a sequence with monopolar gradients (STE) was suppressed by using sequences employing bipolar gradients (APFG and MPFG) in the region of steady-state diffusion. But incompletely suppressed gi artifact resulting in the different behaviors of the early part of Dapp(?) between the sequences leads a ˜ 0.6 and 0.9 in MPFG and APFG, respectively, in the relationship between mean squared displacement and diffusion time: = 2Dta, where a = 0.5 and 1 for 1-dimensional single file diffusion and 3-dimensional bulk diffusion, respectively. The above observations clearly show that the diffusion behavior of ions/molecules within the pores and pore structure, such as the surface-to-volume ratio? (D?_app (?)=D_0 [1-4/(9vp) S/V v(D_0 ?)]) and tortuosity (T = D0/Dapp,8), are possible to be misunderstood, especially in the systems with a non-negligible gi. This work demonstrates that it may be necessary to test several PFG sequences under multiple external magnetic fields for the correct determination of the diffusion behavior of ions/molecules in the pores with a larger internal gradient, gi.

Han, Kee Sung↗
DOE OSTI2023

Relationships between maternally-transferred mercury and hatchling development, behavior, and survival in the American alligator ( Alligator mississippiensis )

Mercury is a toxic and pervasive environmental contaminant that can be transferred from mother to offspring during development. Consequences of maternally-transferred mercury have been observed in vertebrate taxa, including reduced clutch viability, reduced offspring size, and behavioral alterations. These sublethal effects have been assumed to decrease survivorship, though this is seldom assessed. Here, we examined how maternally-transferred mercury interacts with incubation temperature to influence reproductive success, offspring behavior, and subsequent survival in the American alligator (Alligator mississippiensis). We collected nine clutches of eggs from a mercury contaminated reservoir on the Savannah River Site, South Carolina, and incubated eggs at either female- or male-promoting temperatures. Clutch-averaged mercury in egg yolk was high relative to other studies in crocodilians and ranged from 0.248 to 0.554 ppm compared to 0.018–0.052 ppm at a site with low levels of mercury contamination; mercury levels in hatchling blood ranged from 0.090 to 0.490 ppm ($\overline{x}$= 0.240 ppm, n = 158). We found few, mostly negligible correlations between life history traits and mercury but noted a positive relationship with egg mass, possibly mediated by correlated maternal effects such as resource provisioning. Incubation temperature exerted strong effects on hatchling phenotypes, with warmer, male-promoting temperatures producing larger and bolder hatchlings. Presumptive females, produced from cooler incubation temperatures, spent more time in warm areas during behavior trials. Hatchlings were released 10–15 days post-hatch and surveyed over eight months to assess survival. Survivorship was positively correlated with hatchling size and negatively correlated with proportional time spent in warm areas. Presumptive females had much lower survival, and overall survivorship for the eight-month period was 0.185–0.208, depending on the modelling approach. Finally, our study suggests that, within the range of concentrations we observed, incubation temperature has a stronger effect on offspring behavior and survival than maternally-transferred mercury pollution in American alligators.

59 BASIC BIOLOGICAL SCIENCES↗