Dynamical properties of stellar coronas and stellar winds. iii. the dynamics of coronal streamers
Filamentary structure of solar corona and effect on dynamics of solar wind
CORONA↗
SEARCH · Engineering Papers
Results for “DYNAMIC PROPERTY”
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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Dynamical properties of stellar coronas and stellar winds. iii - the dynamics of coronal streamers.
Solar corona dynamics study indicates that solar wind velocity is not greatly affected by filamentary structure for given coronal temperature distribution
SOLAR WIND↗
Dynamic properties of different liquid states in systems with competing interactions studied with lysozyme solutions
Recent studies of colloidal systems with a short-range attraction and long-range repulsion (SALR) have been demonstrated to have a generalized phase diagram with multiple liquid states defined by their structures. In this paper, we identify the different liquid states of previous experimentally studied lysozyme samples within this proposed generalized state diagram and explore the dynamic properties of each liquid state. We show that most lysozyme samples studied here and previously at low and intermediate concentrations are dispersed fluids while a few high concentration samples are randomly percolated liquids. In the dispersed fluid region, the short-time diffusion coefficient measured by neutron spin echo agrees well with the long time diffusion coefficient estimated with the solution viscosity. This dynamic feature is maintained even for some samples in the random percolated region. However, the short-time and long-time diffusion coefficients of random percolated fluids deviate at larger concentration and attraction strength. At high enough concentrations, the mean square displacement can be as slow as those of many glassy colloidal systems at time scales near the characteristic diffusion time even though these lysozyme samples remain in liquid states at the long-time limit. Here, we thus identify the region in the generalized phase diagram where these equilibrium states with extremely slow local dynamics exist relative to bulk percolation and kinetic arrest (gel and glassy) transitions.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
High power thyristors with 5 kV blocking voltage. Volume 1: Development of high-voltage-thyristors (4.5 kV) with good dynamic properties
Using neutron irradiated silicon with considerably lower spread in resistivity as compared to conventionally doped silicon it was possible to produce power thyristors with breakdown voltages between 3.5 kV and 5.5 kV. The thyristor pellets have a diameter of 50 mm. Maximum average on-state currents of 600 to 800 A can be reached with these elements. The dynamic properties of the thryistors could be improved to allow standard applications up to maximum repetitive voltages of 4.5 kV.
Lock, K.↗
Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties
A fully atomistic modelling of many biophysical and biochemical processes at biologically relevant length- and time scales is beyond our reach with current computational resources, and one approach to overcome this difficulty is the use of multiscale simulation techniques. In such simulations, when system properties necessitate a boundary between resolutions that falls within the solvent region, one can use an approach such as the Adaptive Resolution Scheme (AdResS), in which solvent particles change their resolution on the fly during the simulation. Here, we apply the existing AdResS methodology to biomolecular systems, simulating a fully atomistic protein with an atomistic hydration shell, solvated in a coarse-grained particle reservoir and heat bath. Using as a test case an aqueous solution of the regulatory protein ubiquitin, we first confirm the validity of the AdResS approach for such systems, via an examination of protein and solvent structural and dynamical properties. We then demonstrate how, in addition to providing a computational speedup, such a multiscale AdResS approach can yield otherwise inaccessible physical insights into biomolecular function. We use our methodology to show that protein structure and dynamics can still be correctly modelled using only a few shells of atomistic water molecules. We also discuss aspects of the AdResS methodology peculiar to biomolecular simulations.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Dynamical Properties of Internal Shocks Revisited
Internal shocks between propagating plasma shells, originally ejected at different times with different velocities, are believed to play a major role in dissipating the kinetic energy, thereby explaining the observed light curves and spectra in a large range of transient objects. Even if initially the colliding plasmas are cold, following the first collision, the plasma shells are substantially heated, implying that in a scenario of multiple collisions, most collisions take place between plasmas of non-zero temperatures. Here, we calculate the dynamical properties of plasmas resulting from a collision between arbitrarily hot plasma shells, moving at arbitrary speeds. We provide simple analytical expressions valid for both ultrarelativistic and Newtonian velocities for both hot and cold plasmas. We derive the minimum criteria required for the formation of the two-shock wave system, and show that in the relativistic limit, the minimum Lorentz factor is proportional to the square root of the ratio of the initial plasmas enthalpies. We provide basic scaling laws of synchrotron emission from both the forward and reverse-shock waves, and show how these can be used to deduce the properties of the colliding shells. Finally, we discuss the implications of these results in the study of several astronomical transients, such as X-ray binaries, radio-loud quasars, and gamma-ray bursts.
79 ASTRONOMY AND ASTROPHYSICS↗
Intermolecular Network Theory:A General Approach for Understanding the Structural and Dynamic Properties of Liquids and Solutions
Graph theory applications within the physical sciences have a long history. However, it has never moved to the forefront of analytical techniques employed by the computational chemistry community. Though much of the earliest work leveraged percolation theory as a backdrop for understanding critical phenomena and phase transitions within statistical mechanical simulations, modern data science has much to contribute. Here in this paper, we focus on the realm of intermolecular networks, where vertices represent molecules or particles, and an edge represents an intermolecular or interparticle interaction. These interactions are widely understood to dictate many of the physical properties of soft matter, and for liquids in particular, understanding this network is essential. Consider the sheer volume of ~70 years of literature associated with the hydrogen bond network of water, a topic that remains an active area of research even today. The aim of this work is twofold: first, to put into context prior algorithms and analyses that employed “connectedness theory” or lattice-based models to understand the intermolecular networks of chemical systems; and second to discuss a more general strategy for analyzing the multiscale structural and dynamic properties of chemical systems—intermolecular network theory. This approach encompasses foundational methods such as percolation theory, but also utilizes contemporary graph theoretical analyses that have evolved alongside the development of the World Wide Web, cloud computing, and big data. It is the realm of intermolecular network theory to determine the relationships between the essential physics of a system and the topological properties of the network and to derive new techniques in graph theory that can be related to the underlying physico-chemical or reactive properties of a system. Examples are used throughout this chapter that demonstrate applications to a wide variety of complex chemical systems, including ion association within electrolytes, mass transport and the properties of liquid–liquid phase boundaries, and multicomponent solutions.
Complex networks↗
Joint Theoretical and Experimental Study of the Electronic, Magnetic, and Lattice Phonon Dynamics Properties of Ca x Fe y O z Compounds Applied to CO 2 Capture
Unleashing energy innovation ensures a resilient and reliable energy supply. There is a critical need for the development of new carbon dioxide (CO 2 ) captors that have improved energy efficiency accompanied by lower capital and operational costs to ensure abundant, affordable, and secure energy. Among solid materials, CaO is a good CO 2 sorbent for capture technology due to its wide availability and low cost. However, CaO also suffers from some disadvantages, such as high calcination temperature, decreasing capability due to sintering, attrition, and reaction with SO x and NO x . In this study, we employed an ab initio thermodynamic approach and experimental measurements to improve its CO 2 capture performance during the cycles. To do so, we explored the electronic, magnetic, and lattice dynamic properties of a series of calcium ferrites (Ca x Fe y O z ) and applied them for CO 2 capture. Our results showed that all of them can thermodynamically react with CO 2 to form CaCO 3 and iron oxides. Compared to pure CaO capturing CO 2 , CaFe 3 O 4 , CaFe 2 O 4 , and Ca 2 Fe 2 O 5 could shift the CO 2 regeneration temperature to a lower range. The experimental measurements showed that CaFeO 2 is a good CO 2 captor with or without the presence of an O 2 presence. The calculated thermodynamic properties of Ca x Fe y O z capturing the CO 2 reactions can be used to find their operational temperature ranges for different CO 2 capture technologies.
CO2 capture↗
Softening by charging: how collective modes of ionic association in concentrated redoxmer/electrolyte solutions define the structural and dynamic properties in different states of charge
Understanding the physical and chemical processes occurring in concentrated electrolyte solutions is required to achieve redox flow batteries with high energy density. Highly concentrated electrolyte solutions are often studied in which collective crowded interactions between molecules and ions become predominant. In this work, experimental and computational methods were used to examine non-aqueous electrolyte solutions in two different states of charge as a function of redoxmer concentration. As the latter increases and the ionic association strengthens, the electric conductivity passes through a maximum and the solution increasingly gels, which is seen through a rapid non-linear increase in viscosity. We establish that the structural rigidity of ionic networks is closely connected with this loss of fluidity and show that charging generally yields softer ionic assemblies with weaker attractive forces and improved dynamical properties.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
A test of star formation laws in disk galaxies. II. Dependence on dynamical properties
We use the observed radial profiles of the mass surface densities of total, Σ {sub g}, and molecular, Σ{sub H2}, gas, rotation velocity, and star formation rate (SFR) surface density, Σ{sub sfr}, of the molecular-rich (Σ{sub H2} ≥ Σ{sub HI}/2) regions of 16 nearby disk galaxies to test several star formation (SF) laws: a 'Kennicutt-Schmidt (K-S)' law, Σ{sub sfr}=A{sub g}Σ{sub g,2}{sup 1.5}; a 'Constant Molecular' law, Σ{sub sfr} = A {sub H2}Σ{sub H2,2}; the turbulence-regulated laws of Krumholz and McKee (KM05) and Krumholz, McKee, and Tumlinson (KMT09); a 'Gas-Ω' law, Σ{sub sfr}=B{sub Ω}Σ{sub g}Ω; and a shear-driven 'giant molecular cloud (GMC) Collision' law, Σ{sub sfr} = B {sub CC}Σ {sub g}Ω(1-0.7β), where β ≡ d ln v {sub circ}/d ln r. If allowed one free normalization parameter for each galaxy, these laws predict the SFR with rms errors of factors of 1.4-1.8. If a single normalization parameter is used by each law for the entire galaxy sample, then rms errors range from factors of 1.5-2.1. Although the Constant Molecular law gives the smallest rms errors, the improvement over the KMT, K-S, and GMC Collision laws is not especially significant, particularly given the different observational inputs that the laws utilize and the scope of included physics, which ranges from empirical relations to detailed treatment of interstellar medium processes. We next search for systematic variation of SF law parameters with local and global galactic dynamical properties of disk shear rate (related to β), rotation speed, and presence of a bar. We demonstrate with high significance that higher shear rates enhance SF efficiency per local orbital time. Such a trend is expected if GMC collisions play an important role in SF, while an opposite trend would be expected if the development of disk gravitational instabilities is the controlling physics.
79 ASTRONOMY AND ASTROPHYSICS↗
Full scale structural, mechanical and dynamical properties of HIV-1 liposomes
Enveloped viruses are enclosed by a lipid membrane inside of which are all of the components necessary for the virus life cycle; viral proteins, the viral genome and metabolites. Viral envelopes are lipid bilayers that adopt morphologies ranging from spheres to tubes. The envelope is derived from the host cell during viral replication. Thus, the composition of the bilayer depends on the complex constitution of lipids from the host-cell’s organelle(s) where assembly and/or budding of the viral particle occurs. Here, molecular dynamics (MD) simulations of authentic, asymmetric HIV-1 liposomes are used to derive a unique level of resolution of its full-scale structure, mechanics and dynamics. Analysis of the structural properties reveal the distribution of thicknesses of the bilayers over the entire liposome as well as its global fluctuations. Moreover, full-scale mechanical analyses are employed to derive the global bending rigidity of HIV-1 liposomes. Finally, dynamical properties of the lipid molecules reveal important relationships between their 3D diffusion, the location of lipid-rafts and the asymmetrical composition of the envelope. Overall, our simulations reveal complex relationships between the rich lipid composition of the HIV-1 liposome and its structural, mechanical and dynamical properties with critical consequences to different stages of HIV-1’s life cycle.
59 BASIC BIOLOGICAL SCIENCES↗
Geodetic and dynamical properties of planets
Data concerning planetary dynamics and geodesy are severely limited because, at present, only one planetary system in the universe can be studied. It is, therefore, impossible to base the study of planets on a significant statistical sample. The gravity fields of the planets are discussed, giving attention to the various space missions involved in the collection of the relevant data. Other subjects considered include planetary shape and topography, planetary rotations, and planetary interiors. The basic problem in finding an acceptable model for the planetary interior is to specify the chemical composition with depth and then to find a physically realistic equation for the material.
Anderson, J. D.↗
Structural and dynamic properties of solvated hydroxide and hydronium ions in water from ab initio modeling
Predicting the asymmetric structure and dynamics of solvated hydroxide and hydronium in water from ab initio molecular dynamics (AIMD) has been a challenging task. The difficulty mainly comes from a lack of accurate and efficient exchange–correlation functional in elucidating the amphiphilic nature and the ubiquitous proton transfer behaviors of the two ions. By adopting the strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation functional in AIMD simulations, we systematically examine the amphiphilic properties, the solvation structures, the electronic structures, and the dynamic properties of the two water ions. In particular, we compare these results to those predicted by the PBE0-TS functional, which is an accurate yet computationally more expensive exchange–correlation functional. We demonstrate that the general-purpose SCAN functional provides a reliable choice for describing the two water ions. Specifically, in the SCAN picture of water ions, the appearance of the fourth and fifth hydrogen bonds near hydroxide stabilizes the pot-like shape solvation structure and suppresses the structural diffusion, while the hydronium stably donates three hydrogen bonds to its neighbors. We apply a detailed analysis of the proton transfer mechanism of the two ions and find the two ions exhibit substantially different proton transfer patterns. In conclusion, our AIMD simulations indicate that hydroxide diffuses more slowly than hydronium in water, which is consistent with the experimental results.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Analytical investigations employing dynamic mechanical properties
Dynamic mechanical spectroscopy has emerged as an effective laboratory method for analytical investigations of polymers. These methods were applied in investigating the property changes of silicone poppets implanted in artificial heart valves, and for exploring the cause of hardening of certain solid propellants. As a research activity, the property-structure relations which lead to the ability to superimpose dynamic data for epoxy resins were investigated.
Cuddihy, E. F.↗
Geodetic and dynamical properties of planets
The study of planetary dynamics and geodesy is a difficult subject. This is so, not simply because of the complexity of the interactions between several scientific disciplines, including geophysics, geology, geochemistry, seismology, celestial mechanics, radar astronomy, and meteoritics, but perhaps more fundamentally, because of a lack of data. Although it is true that the space age has brought about important new observational techniques, which are responsible in large part for the rapid developments in planetary science over the past decade, and although we should expect to see significant progress in the field over the next few years, it is still a sad fact that data will be severely limited for an indefinite period of time in the future. The basic problem is that we can observe and study, at present, only one planetary system in the universe. This system, our solar system, contains only four major planets, five terrestrial planets, where we are inclined to include the moon but exclude Pluto, and a fairly limited collection of debris, presumably left over from some inadequately understood formation process. Thus it is impossible to base the study of planets on a significant statistical sample.
J. D.. Anderson↗
Molecular simulation study of dynamical properties of room temperature ionic liquids with carbon pieces
Room temperature ionic liquids (RTILs) with dispersed carbon pieces exhibit distinctive physiochemical properties. In order to explore the molecular mechanism, RTILs/carbon pieces mixture we investigated it by molecular dynamics (MD) simulation in this work. Rigid and flexible carbon pieces in the form of graphene with different thicknesses and carbon nanotubes in different sizes were dispersed in a representative RTIL 1-butyl-3-methyl-imidazolium dicyanamide ([Bmim][DCA]). Our study demonstrated that the diffusion coefficients of RTILs in the presence of flexible carbons are similar to those of bulk RTILs at varying temperatures, which is in contrast to the decreased diffusion of RTILs in the presence of rigid carbons. In addition, interfacial ion number density at rigid carbon surfaces was higher than that at flexible ones, which is correlated with the accessible external surface area of carbon pieces. The life time of cation-anion pair in the presence of carbon pieces also exhibited a dependence on carbon flexibility. RTILs with dispersed rigid carbon pieces showed longer ion pair life time than those with flexible ones, in consistence with the observation in diffusion coefficients. Furthermore, this work highlights the necessity of including the carbon flexibility when performing MD simulation of RTILs in the presence of dispersed carbon pieces in order to obtain the reliable dynamical and interfacial structural properties.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Light Weight Structural Designs via Dynamic Properties
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light weight↗