Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “dynamical core”

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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Dynamics of Hydrophobic Core Phenylalanine Residues Probed by Solid-State Deuteron NMR

We conducted a detailed investigation of the dynamics of two phenylalanine side chains in the hydrophobic core of the villin headpiece subdomain protein (HP36) in the hydrated powder state over the 298–80 K temperature range. We utilized static deuteron NMR measurements of longitudinal relaxation and line shapes supplemented with computational modeling. The temperature dependence of the relaxation times reveals the presence of two main mechanisms that can be attributed to the ring-flips, dominating at high temperatures, and small-angle fluctuations, dominating at low temperatures. The relaxation is non- exponential at all temperatures with the extent of non-exponentiality increasing from higher to lower temperatures. This behavior suggests a distribution of conformers with unique values of activation energies. The central values of the activation energies for the ring-flipping motions are among the smallest reported for aromatic residues in peptides and proteins and point to a very mobile hydrophobic core. The analysis of the widths of the distributions, in combination with the earlier results on the dynamics of flanking methyl groups (Vugmeyster et al., J. Phys. Chem. 2013, 117, 6129–6137), suggests that the hydrophobic core undergoes concerted fluctuations. There is a pronounced effect of dehydration on the ring-flipping motions, which shifts the distribution toward more rigid conformers. The cross-over temperature between the regions of dominance of the small-angle fluctuations and ring-flips shifts from 195 K in the hydrated protein to 278 K in the dry one. This result points to the role of solvent in the onset of the concerted fluctuations of the core and highlights aromatic residues as markers of the protein dynamical transitions.

Environmental Molecular Sciences Laboratory↗
NASA NTRS1982

Data use investigation for the magnetic field satellite (MAGSAT) mission: Geomagnetic field forecasting and fluid dynamics of the core

MAGSAT data were used to construct a variety of spherical harmonic models of the main geomagnetic field emanating from Earth's liquid core at poch 1980. These models were used to: (1) accurately determine the radius of Earth's core by a magnetic method, (2) calculate estimates, of the long-term ange of variation of geomagnetic Gauss coefficients; (3) establish a preferred truncation level for current spherical harmonic models of the main geomagnetic field from the core; (4) evaluate a method for taking account of electrical conduction in the mantle when the magnetic field is downward continued to the core-mantle boundary; and (5) establish that upwelling and downwelling of fluid motion at the top of the core is probably detectable, observationally. A fluid dynamics forecast model was not produced because of insufficient data.

Benton, E. R.↗
DOE OSTI2026

Impact of atomic substitution on core-hole relaxation dynamics: A study of Br 2 and IBr

Understanding inner-shell decay processes in heavy-element molecules is essential for unraveling x-ray-induced photodynamics and advancing molecular imaging techniques. Here, in this study, we investigate the influence of atomic substitution on core-hole relaxation dynamics and molecular fragmentation in Br 2 and IBr, initiated by x-ray ionization absorption at the Br K-edge. Using a combination of x-ray/ion coincidence measurements and Monte Carlo/molecular dynamics simulations, we track the charge distribution and the kinetic energy release (KER) of fragment ions with a total charge from 2+ to 8+. For both molecules, the simulated KER values show good agreement with experiment across different fragmentation channels. Our comparison reveals that substituting Br with the heavier I atom in IBr has a minimal impact on the inner-shell electronic decay process but significantly influences nuclear motion, leading to slower dissociation and thus a KER close to the Coulomb limit—an effect attributed to the atomic mass. These findings highlight the interplay between electronic and nuclear effects in molecular fragmentation, particularly in heavy-element species, and provide new insights into medical therapies, structural biology, and astrophysics.

Bhat, Nivedita [Argonne National Laboratory (ANL),↗
NASA NTRS1992

Comparison of high temperature, high frequency core loss and dynamic B-H loops of a 2V-49Fe-49Co and a grain oriented 3Si-Fe alloy

The design of power magnetic components such as transformers, inductors, motors, and generators, requires specific knowledge about the magnetic and electrical characteristics of the magnetic materials used in these components. Limited experimental data exists that characterizes the performance of soft magnetic materials for the combined conditions of high temperature and high frequency over a wide flux density range. An experimental investigation of a 2V-49-Fe-49Co (Supermendur) and a grain oriented 3 Si-Fe (Magnesil) alloy was conducted over the temperature range of 23 to 300 C and frequency range of 0.1 to 10 kHz. The effects of temperature, frequency, and maximum flux density on the core loss and dynamic B-H loops for sinusoidal voltage excitation conditions are examined for each of these materials. A comparison of the core loss of these two materials is also made over the temperature and frequency range investigated.

Wieserman, W. R.↗
NASA NTRS1992

Comparison of high temperature, high frequency core loss and dynamic B-H loops of a 2V-49Fe-49Co and a grain oriented 3Si-Fe alloy

The design of power magnetic components such as transformers, inductors, motors, and generators, requires specific knowledge about the magnetic and electrical characteristics of the magnetic materials used in these components. Limited experimental data exists that characterizes the performance of soft magnetic materials for the combined conditions of high temperature and high frequency over a wide flux density range. An experimental investigation of a 2V-49-Fe-49Co (Supermendur) and a grain oriented 3 Si-Fe (Magnesil) alloy was conducted over the temperature range of 23 to 300 C and frequency range of 0.1 to 10 kHz. The effects of temperature, frequency, and maximum flux density on the core loss and dynamic B-H loops for sinusoidal voltage excitation conditions are examined for each of these materials. A comparison of the core loss of these two materials is also made over the temperature and frequency range investigated.

Wieserman, W. R.↗
NASA NTRS1991

Comparison of high temperature, high frequency core loss and dynamic B-H loops of two 50 Ni-Fe crystalline alloys and an iron-based amorphous alloy

The availability of experimental data that characterizes the performance of soft magnetic materials for the combined conditions of high temperature and high frequency is almost nonexistent. An experimental investigation was conducted over the temperature range of 23 to 300 C and frequency range of 1 to 50 kHz to determine the effects of temperature and frequency on the core loss and dynamic B-H loops of three different soft magnetic materials; and oriented grain 50Ni-50Fe alloy, a nonoriented grain 50Ni-Fe alloy, and an iron based amorphous material (Metglas 2605SC). A comparison of these materials shows that the nonoriented grain 50Ni-50Fe alloy tends to have either the lowest or next lowest core loss for all temperatures and frequencies investigated.

Wieserman, W. R.↗
NASA NTRS1991

Comparison of high temperature, high frequency core loss and dynamic B-H loops of two 50 Ni-Fe crystalline alloys and an iron-based amorphous alloy

The availability of experimental data that characterize the performance of soft magnetic materials for the combined conditions of high temperature and high frequency is almost nonexistent. An experimental investigation was conducted over the temperature range of 23 to 300 C and frequency range of 1 to 50 kHz to determine the effects of temperature and frequency on the core loss and dynamic B-H loops of three different soft magnetic materials: an oriented-grain 50Ni-50Fe alloy, a nonoriented-grain 50Ni-50Fe alloy, and an iron-based amorphous material (Metglas 2605SC). A comparison of these materials shows that the nonoriented-grain 50Ni-50Fe alloy tends to have either the lowest or the next lowest core loss for all temperatures and frequencies investigated.

Wieserman, W. R.↗
NASA NTRS1995

Effects of temperature, frequency, flux density, and excitation waveform on the core loss and dynamic B-H loops of supermalloy

The availability of experimental data which characterize the performance of soft magnetic materials for the combined conditions of temperature and frequency over a wide flux density range for different types of excitation is almost nonexistent. An experimental investigation of an 80-20 Ni-Fe alloy (Supermalloy) was conducted over the temperature (T) range of 23 to 300 C, frequency (f) range of 1 to 50 kHz, and maximum flux densities (B(sub M)) from 0.1 T up to 0.7 T for both sine and square wave voltage excitation. The investigation focused on the effects of (B(sub M)), f, T, and excitation waveform on the specific core loss (SCL) and dynamic B-H loops. The results show that the ratio (R) of sine to square wave excitation specific core loss was always greater than unity for a given f and T and identical values of B(sub M). The values of R ranged from 1.07 to 1.34. The classical theory of core loss separation into a hysteresis and eddy current loss component was used to theoretically determine the lower and upper bounds on R, against which the experimental R-values were compared. The experimental R-values were also used to make a comparison of the core loss of a sine and square wave voltage driven transformer.

Schwarze, Gene E.↗
DOE OSTI2014

The dynamical fingerprint of core scouring in massive elliptical galaxies

The most massive elliptical galaxies have low-density centers or cores that differ dramatically from the high-density centers of less massive ellipticals and bulges of disk galaxies. These cores have been interpreted as the result of mergers of supermassive black hole binaries, which depopulate galaxy centers by gravitationally slingshotting central stars toward large radii. Such binaries naturally form in mergers of luminous galaxies. Here, we analyze the population of central stellar orbits in 11 massive elliptical galaxies that we observed with the integral field spectrograph SINFONI at the European Southern Observatory Very Large Telescope. Our dynamical analysis is orbit-based and includes the effects of a central black hole, the mass distribution of the stars, and a dark matter halo. We show that the use of integral field kinematics and the inclusion of dark matter is important to conclude on the distribution of stellar orbits in galaxy centers. Six of our galaxies are core galaxies. In these six galaxies, but not in the galaxies without cores, we detect a coherent lack of stars on radial orbits in the core region and a uniform excess of radial orbits outside of it: when scaled by the core radius r{sub b} , the radial profiles of the classical anisotropy parameter β(r) are nearly identical in core galaxies. Moreover, they quantitatively match the predictions of black hole binary simulations, providing the first convincing dynamical evidence for core scouring in the most massive elliptical galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Time-series RNA metabarcoding of the active Populus tremuloides root microbiome reveals hidden temporal dynamics and dormant core members

The rhizosphere is a critical interface between plant roots and soil, harboring diverse microbial communities that are essential to plant and ecosystem health. Although these communities exhibit stark temporal dynamics, their dormancy/activity transitions remain poorly understood. Such transitions may enable microbes to rapidly adjust functional contributions faster than community turnover alone would allow. Here, we used RNA metabarcoding to characterize the active fraction of microbial communities on the roots of quaking aspen (Populus tremuloides) in a time-series study across a natural environmental gradient. We explore cryptic temporal microbial community dynamics of rhizosphere communities at the ecosystem scale. The active rhizosphere bacterial and fungal communities were more temporally dynamic than total communities, while total communities exhibited a stronger response to site-specific conditions. Notably, some core microbiome members were often inactive, yielding a smaller “active core” subset. The fungal endophyte Hyaloscypha finlandica was the only microbe that was both present and active in all plots across all timepoints. Soil temperature strongly influenced both total and active community composition, with the fungal class Eurotiomycetes showing a temperature-dependent seasonal decline in abundance. Together, these results reveal that modulation of microbial activity levels is a key mechanism by which the plant root holobiont responds to environmental variation, and that even dominant symbionts may frequently persist in dormancy within the rhizosphere.

Community Structure and Diversity↗
DOE OSTI2018

Optimizing the performance of reactive molecular dynamics simulations for many-core architectures

Reactive molecular dynamics simulations are computationally demanding. Reaching spatial and temporal scales where interesting scientific phenomena can be observed requires efficient and scalable implementations on modern hardware. In this article, we focus on optimizing the performance of the widely used LAMMPS/ReaxC package for many-core architectures. As hybrid parallelism allows better leverage of the increasing on-node parallelism, we adopt thread parallelism in the construction of bonded and nonbonded lists and in the computation of complex ReaxFF interactions. To mitigate the I/O overheads due to large volumes of trajectory data produced and to save users the burden of post-processing, we also develop a novel in situ tool for molecular species analysis. We analyze the performance of the resulting ReaxC-OMP package on two different architectures: (i) Mira, an IBM Blue Gene/Q system and (ii) Cori-II, a Cray XC-40 sytem with Knights Landing processors. For Pentaerythritol tetranitrate (PETN) systems of sizes ranging from 32 thousand to 16.6 million particles, we observe speedups in the range of 1.5-4.5x. We observe sustained performance improvements for up to 262,144 cores (1,048,576 processes) of Mira and a weak scaling efficiency of 91.5% in large simulations containing 16.6 million particles. Finally, the in situ molecular species analysis tool incurs only insignificant overheads across various system sizes and runs configurations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

( Suzaku Suzaku) X-ray observations of the nearest non-cool core cluster, Antlia: dynamically young but with remarkably relaxed outskirts

We present the results of seven Suzaku mosaic observations (>200 ks in total) of the nearest non-cool core cluster, the Antlia Cluster (or Group), beyond its degree-scale virial radius in its eastern direction. The temperature is consistent with the scaled profiles of many other clusters. Its pressure follows the universal profile. The density slope in its outskirts is significantly steeper than that of the nearest cool core cluster (Virgo) with a similar temperature as Antlia, but shallower than those of the massive clusters. The entropy increases all the way out to R {sub 200}, which is consistent in value with the baseline model predicted by a gravity heating-only mechanism in the outskirts. Antlia is quite relaxed in this direction. However, the entropy inside ∼R {sub 500} is significantly higher than the baseline model, which is similar to many other nearby low mass clusters or groups. The enclosed gas-mass fraction does not exceed the cosmic value out to 1.3R{sub 200}. Thus, there is no evidence of significant gas clumping, electron-ion non-equipartition, or departure from the hydrostatic equilibrium approximation that are suggested to explain the entropy and gas fraction anomalies found in the outskirts of some massive clusters. We also present scaling relations for the gas fraction (f{sub gas,200}), entropy (K {sub 200}), and temperature (T {sub 500}) using 22 groups and clusters with published data in the literature. The enclosed baryon fraction at R {sub 200} is broadly consistent with the cosmic value. The power law slope of the K {sub 200}–T {sub 500} relation is 0.638 ± 0.205. The entropy deficit at R {sub 200} cannot be fully accounted for by the bias or deviation in the gas fraction.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Global Ten-Moment Multifluid Simulations of the Solar Wind Interaction with Mercury: From the Planetary Conducting Core to the Dynamic Magnetosphere

In this work, we explore for the first time the tightly coupled interior-magnetosphere system of Mercury by employing a three-dimensional ten-moment multifluid model. This novel fluid model incorporates the nonideal effects including the Hall effect, electron inertia, and tensorial pressures that are critical for collisionless magnetic reconnection; therefore, it is particularly well suited for investigating collisionless magnetic reconnection in Mercury's magnetotail and at the planet's magnetopause. Additionally, the model is able to reproduce the observed magnetic field vectors, field-aligned currents, and cross-tail current sheet asymmetry (beyond magnetohydrodynamic approach), and the simulation results are in good agreement with spacecraft observations. We also study the magnetospheric response of Mercury to a hypothetical extreme event with an enhanced solar wind dynamic pressure, which demonstrates the significance of induction effects resulting from the electromagnetically coupled interior. More interestingly, plasmoids (or flux ropes) are formed in Mercury's magnetotail during the event, indicating the highly dynamic nature of Mercury's magnetosphere.

58 GEOSCIENCES↗
DOE OSTI2014

Core-to-valence spectroscopic detection of the CH{sub 2}Br radical and element-specific femtosecond photodissociation dynamics of CH{sub 2}IBr

Element-specific single photon photodissociation dynamics of CH{sub 2}IBr and core-to-valence absorption spectroscopy of CH{sub 2}Br radicals are investigated using femtosecond high-harmonic extreme ultraviolet (XUV) transient absorption spectroscopy. Photodissociation of CH{sub 2}IBr along both the C–I or C–Br reaction coordinates is observed in real-time following excitation at 266 nm. At this wavelength, C–I dissociation is the dominant reaction channel and C–Br dissociation is observed as a minor pathway. Both photodissociation pathways are probed simultaneously through individual 4d(I) N{sub 4/5} and 3d(Br) M{sub 4/5} core-to-valence transitions. The 3d(Br) M{sub 4/5} pre-edge absorption spectrum of the CH{sub 2}Br radical photoproduct corresponding to the C–I dissociation channel is characterized for the first time. Although the radical's singly occupied molecular orbital (SOMO) is mostly localized on the central carbon atom, the 3d(Br) → π{sup *}(SOMO) resonances at 68.5 eV and 69.5 eV are detected 2 eV below the parent molecule 3d(Br) → σ{sup *}(LUMO) transitions. Core-to-valence XUV absorption spectroscopy provides a unique probe of the local electronic structure of the radical species in reference to the Br reporter atom. The measured times for C–I dissociation leading to I and I{sup *} atomic products are 48 ± 12 fs and 44 ± 4 fs, respectively, while the measured C–Br dissociation time leading to atomic Br is 114 ± 17 fs. The investigation performed here demonstrates the capability of femtosecond time-resolved core-level spectroscopy utilizing multiple reporter atoms simultaneously.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Comparison of continuum and cross-core theories of dynamic strain aging

Dynamic strain aging (DSA) is the process of solute atoms segregating around dislocations on the timescale of loading. Continuum theories of DSA derived from elasticity theory have been shown to severely overpredict both the timescale and strengthening of DSA. Recently, cross-core theory was developed to reconcile this gap, invoking a special single-atomic-hop diffusion mechanism across the core of an extended dislocation. In this work, we show that the classical continuum theory expression for the rate of solute segregation is in error. After correcting this error, we show that continuum theory predictions match cross-core theory when the elevated diffusivity near the dislocation core is accounted for. Finally, our findings indicate that continuum theory is still a useful tool for studying dislocation-solute interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

ECAR-6330 Rev 0 Computational Fluid Dynamics Evaluation of Core Pressure Drop for the Primary Coolant Apparatus Test

PCAT is a thermal-hydraulic test loop for MARVEL reactor. The design gap thickness between the heater rods of PCAT core is 1.0 mm. The heater elements were manufactured within a straightness tolerance for the designed gap thickness, but several elements have been distorted out of tolerance during the welding process. The distortion of heater rods could lead to flow maldistribution and excessive hotspot temperature when the gap between two heater rods is too narrow. Wire-wraps are the spacer devices widely used in the sodium cooled fast reactor system to maintain the design fuel pitch. Generally, a wire spacer can enhance the turbulent heat transfer, but it increases the pressure drop, which is not desirable for a natural-circulation system like PCAT. Therefore, three short wire-wrap spacers per heater have been proposed to contain the core pressure drops and keep the heater-to-heater gap in an acceptable range. The objectives of this ECAR is to evaluate the PCAR core pressure drop with short wire spacers to confirm that the additional pressure drop due to the wire spacer will not disturb the natural circulation of the PCAT.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗