Total Kinetic Energy Release in the Fast Neutron Induced Fission of 235U
NASA Astrophysics Data System (ADS)
Loveland, Walter; Yanez, Ricardo
2016-09-01
We have measured the total kinetic energy (TKE) release, its variance and associated fission product mass distributions for the neutron induced fission of 235U for En = 2-90 MeV using the 2E method. The neutron energies were determined,event by event, by time of flight measurements with the white spectrum neutron beam from LANSCE. The TKE decreases with increasing neutron energy. This TKE decrease is due to increasing symmetric fission (and decreasing asymmetric fission)with increasing neutron energy, in accord with Brosa model predictions. Our measurement of the TKE release for 235U(nth,f) is in excellent agreement with the known value, indicating our measurements are absolute measurements. The TKE variances are sensitive indicators of nth chance fission. Due to the occurrence of nth chance fission and pre-fission neutron emission, the average fissioning system and its excitation energy is a complex function of the incident neutron energy. Detailed comparisons of our data with previous measurements will be made. This work was supported, in part, by the Director, Office of Energy Research, Division of Nuclear Physics of the Office of High Energy and Nuclear Physics of the U.S. Department of Energy under Grant DE-SC0014380.
Limiting Energy Dissipation Induces Glassy Kinetics in Single-Cell High-Precision Responses
Das, Jayajit
2016-01-01
Single cells often generate precise responses by involving dissipative out-of-thermodynamic-equilibrium processes in signaling networks. The available free energy to fuel these processes could become limited depending on the metabolic state of an individual cell. How does limiting dissipation affect the kinetics of high-precision responses in single cells? I address this question in the context of a kinetic proofreading scheme used in a simple model of early-time T cell signaling. Using exact analytical calculations and numerical simulations, I show that limiting dissipation qualitatively changes the kinetics in single cells marked by emergence of slow kinetics, large cell-to-cell variations of copy numbers, temporally correlated stochastic events (dynamic facilitation), and ergodicity breaking. Thus, constraints in energy dissipation, in addition to negatively affecting ligand discrimination in T cells, can create a fundamental difficulty in determining single-cell kinetics from cell-population results. PMID:26958894
Kinetic-energy induced smoothening and delay of epitaxial breakdown in pulsed-laser deposition
Shin, Byungha; Aziz, Michael J.
2007-08-15
We have isolated the effect of kinetic energy of depositing species from the effect of flux pulsing during pulsed-laser deposition (PLD) on surface morphology evolution of Ge(001) homoepitaxy at low temperature (100 deg. C). Using a dual molecular beam epitaxy (MBE) PLD chamber, we compare morphology evolution from three different growth methods under identical experimental conditions except for the differing nature of the depositing flux: (a) PLD with average kinetic energy 300 eV (PLD-KE); (b) PLD with suppressed kinetic energy comparable to thermal evaporation energy (PLD-TH); and (c) MBE. The thicknesses at which epitaxial breakdown occurs are ranked in the order PLD-KE>MBE>PLD-TH; additionally, the surface is smoother in PLD-KE than in MBE. The surface roughness of the films grown by PLD-TH cannot be compared due to the early epitaxial breakdown. These results demonstrate convincingly that kinetic energy is more important than flux pulsing in the enhancement of epitaxial growth, i.e., the reduction in roughness and the delay of epitaxial breakdown.
Montoya, M.; Rojas, J.; Lobato, I.
2010-08-04
The average of fragment kinetic energy (E-bar sign*) and the multiplicity of prompt neutrons ({nu}(bar sign)) as a function of fragment mass (m*), as well as the fragment mass yield (Y(m*)) from thermal neutron-induced fission of {sup 239}Pu have been measured by Tsuchiya et al.. In that work the mass and kinetic energy are calculated from the measured kinetic energy of one fragment and the difference of time of flight of the two complementary fragments. However they do not present their results about the standard deviation {sigma}{sub E}*(m*). In this work we have made a numerical simulation of that experiment which reproduces its results, assuming an initial distribution of the primary fragment kinetic energy (E(A)) with a constant value of the standard deviation as function of fragment mass ({sigma}{sub E}(A)). As a result of the simulation we obtain the dependence {sigma}{sub E}*(m*) which presents an enhancement between m* = 92 and m* = 110, and a peak at m* = 121.
NASA Astrophysics Data System (ADS)
Montoya, M.; Rojas, J.; Lobato, I.
2010-08-01
The average of fragment kinetic energy (E*) and the multiplicity of prompt neutrons (ν) as a function of fragment mass (m*), as well as the fragment mass yield (Y(m*)) from thermal neutron-induced fission of 239Pu have been measured by Tsuchiya et al.. In that work the mass and kinetic energy are calculated from the measured kinetic energy of one fragment and the difference of time of flight of the two complementary fragments. However they do not present their results about the standard deviation σE*(m*). In this work we have made a numerical simulation of that experiment which reproduces its results, assuming an initial distribution of the primary fragment kinetic energy (E(A)) with a constant value of the standard deviation as function of fragment mass (σE(A)). As a result of the simulation we obtain the dependence σE*(m*) which presents an enhancement between m* = 92 and m* = 110, and a peak at m* = 121.
NASA Astrophysics Data System (ADS)
Huang, Peisheng; Sanford, Thomas B.; Imberger, JöRg
2009-12-01
Heat and turbulent kinetic energy budgets of the ocean surface layer during the passage of Hurricane Frances were examined using a three-dimensional hydrodynamic model. In situ data obtained with the Electromagnetic-Autonomous Profiling Explorer (EM-APEX) floats were used to set up the initial conditions of the model simulation and to compare to the simulation results. The spatial heat budgets reveal that during the hurricane passage, not only the entrainment in the bottom of surface mixed layer but also the horizontal water advection were important factors determining the spatial pattern of sea surface temperature. At the free surface, the hurricane-brought precipitation contributed a negligible amount to the air-sea heat exchange, but the precipitation produced a negative buoyancy flux in the surface layer that overwhelmed the instability induced by the heat loss to the atmosphere. Integrated over the domain within 400 km of the hurricane eye on day 245.71 of 2004, the rate of heat anomaly in the surface water was estimated to be about 0.45 PW (1 PW = 1015 W), with about 20% (0.09 PW in total) of this was due to the heat exchange at the air-sea interface, and almost all the remainder (0.36 PW) was downward transported by oceanic vertical mixing. Shear production was the major source of turbulent kinetic energy amounting 88.5% of the source of turbulent kinetic energy, while the rest (11.5%) was attributed to the wind stirring at sea surface. The increase of ocean potential energy due to vertical mixing represented 7.3% of the energy deposited by wind stress.
1981-02-01
heat of detonation of pentolite is Sl k.J/g, so the kinetic energy of the tungsten penetrators is equal to the heat of detonation of...the heat of detonation of pentolite, 5.11 kJ/g. Then the scaled distance curves 3 can be used to predict blast pressure at the instrumented position for...kinetic and chemical energy is 11.8 MJ which equals the heat of detonation of 2.3 kg of pentolite. This would produce a reflected blast pressure of
Montoya, M.; Rojas, J.; Saetone, E.
2007-10-26
The mass and kinetic energy distribution of nuclear fragments from thermal neutron-induced fission of {sup 235}U(n{sub th},f) have been studied using a Monte-Carlo simulation. Besides reproducing the pronounced broadening in the standard deviation of the kinetic energy at the final fragment mass number around m = 109, our simulation also produces a second broadening around m = 125. These results are in good agreement with the experimental data obtained by Belhafaf et al. and other results on yield of mass. We conclude that the obtained results are a consequence of the characteristics of the neutron emission, the sharp variation in the primary fragment kinetic energy and mass yield curves. We show that because neutron emission is hazardous to make any conclusion on primary quantities distribution of fragments from experimental results on final quantities distributions.
Quantitative Analysis of Clustered DNA Damages Induced by Silicon Beams of Different Kinetic Energy
Keszenman D. J.; Keszenman, D.J.; Bennett, P.V.; Sutherland, B.M.; Wilson, P.F.
2013-05-14
Humans may b exposed to highly energetic charged particle radiation as a result of medical treatments, occupational activitie or accidental events. In recent years, our increasing presence and burgeoning interest in space exploration beyond low Earth orbit has led to a large increase in the research of the biological effects ofcharged particle radiation typical of that encountered in the space radiation environment. The study of the effects of these types of radiation qualities in terms ofDNA damage induction and repair is fundamental to understand mechanisms both underlying their greater biological effectiveness as we)) as the short and long term risks of health effects such as carcinogenesis, degen rative diseases and premature aging. Charged particle radiation induces a variety of DNA alterations, notably bistranded clustered damages, defined as two or more closely-opposed strand break , oxidized bases or abasic sites within a few helical turns. The induction of such highly complex DNA damage enhances the probability of incorrect or incomplete repair and thus constitutes greater potential for genomic instability, cell death and transformation.
Kinetic energy transducing system
Danihel, M.
1986-07-08
A device is described for converting wave energy to mechanical motion comprising: a frame, at least one wave energy transducer each of which has a float to ride upon the undulating surface of a body of water, a rocker shaft rotatably mounted in the frame and connected to the float by a rocker arm to turn in response to movement of the float upon the undulating water surface, a pair of unidirectional clutch mechanisms coupled to the rocker shaft, a drive shaft rotatably mounted on the frame and connected to the clutch mechanisms to turn in a single direction of rotation responsive to alternative engagement of the clutch mechanisms therewith and turning movement of the rocker shaft in both directions of rotation, and a hydrofoil system for each float including a vertical shaft extending downwardly from the bottom of each float, a transverse rod which is rotatably coupled to the vertical shaft, a pair of hydrofoil wings secured to the transverse rod on opposite sides of the vertical shaft, and means for centering the hydrofoil wings acting between the vertical shaft and the transverse rod to urge the hydrofoil wings toward horizontal orientation.
Shiraishi, Junya; Miyato, Naoaki; Matsunaga, Go
2016-01-01
It is found that new channels of energy exchange between macro- and microscopic dynamics exist in plasmas. They are induced by macroscopic plasma flow. This finding is based on the kinetic-magnetohydrodynamic (MHD) theory, which analyses interaction between macroscopic (MHD-scale) motion and microscopic (particle-scale) dynamics. The kinetic-MHD theory is extended to include effects of macroscopic plasma flow self-consistently. The extension is realised by generalising an energy exchange term due to wave-particle resonance, denoted by δ WK. The first extension is generalisation of the particle’s Lagrangian, and the second one stems from modification to the particle distribution function due to flow. These extensions lead to a generalised expression of δ WK, which affects the MHD stability of plasmas. PMID:27160346
Shiraishi, Junya; Miyato, Naoaki; Matsunaga, Go
2016-05-10
It is found that new channels of energy exchange between macro- and microscopic dynamics exist in plasmas. They are induced by macroscopic plasma flow. This finding is based on the kinetic-magnetohydrodynamic (MHD) theory, which analyses interaction between macroscopic (MHD-scale) motion and microscopic (particle-scale) dynamics. The kinetic-MHD theory is extended to include effects of macroscopic plasma flow self-consistently. The extension is realised by generalising an energy exchange term due to wave-particle resonance, denoted by δ WK. The first extension is generalisation of the particle's Lagrangian, and the second one stems from modification to the particle distribution function due to flow. These extensions lead to a generalised expression of δ WK, which affects the MHD stability of plasmas.
NASA Astrophysics Data System (ADS)
Lu, Yingxian; Wang, Xiaohong; Wu, Xiaoming; Qin, Jin; Lu, Ruochen
2014-06-01
This paper presents a non-resonant, gravity-induced micro triboelectric harvester with high internal resistance. The device collects kinetic energy from low-frequency jiggling movements for the power supply of portable electric devices such as wristwatches. It includes a friction module to produce triboelectric charge and an electrostatic induction module to export energy. The friction that transfers charge is induced by jiggling movements, with gravity and inertia of an internal slider, instead of with external direct force. The non-resonant structure allows the device to respond to low frequencies of 1.5-5.5 Hz, covering the frequencies of human motion. Load resistance sweeping shows that the optimal load resistance is about 1.1 GΩ, with the peak output voltage of about 260 V, and the output power of 60 µW. The proposed harvester responds to low-frequency kinetic energy in jiggling movements matching that of a human limb's running motion; so it has potential to convert the mechanical energy of arm swings or strides into electric energy.
Duke, Dana Lynn
2015-11-12
This Ph.D. dissertation describes a measurement of the change in mass distributions and average total kinetic energy (TKE) release with increasing incident neutron energy for fission of ^{235}U and ^{238}U. Although fission was discovered over seventy-five years ago, open questions remain about the physics of the fission process. The energy of the incident neutron, En, changes the division of energy release in the resulting fission fragments, however, the details of energy partitioning remain ambiguous because the nucleus is a many-body quantum system. Creating a full theoretical model is difficult and experimental data to validate existing models are lacking. Additional fission measurements will lead to higher-quality models of the fission process, therefore improving applications such as the development of next-generation nuclear reactors and defense. This work also paves the way for precision experiments such as the Time Projection Chamber (TPC) for fission cross section measurements and the Spectrometer for Ion Determination in Fission (SPIDER) for precision mass yields.
Keszenman, D.J.; Sutherland, B. M.
2010-08-01
To determine the linear energy transfer (LET) dependence of the biological effects of densely ionizing radiation in relation to changes in the ionization density along the track, we measured the yields and spectrum of clustered DNA damages induced by charged particles of different atomic number but similar kinetic energy per nucleon in different DNA microenvironments. Yeast DNA embedded in agarose in solutions of different free radical scavenging capacity was irradiated with 1 GeV protons, 1 GeV/nucleon oxygen ions, 980 MeV/nucleon titanium ions or 968 MeV/nucleon iron ions. The frequencies of double-strand breaks (DSBs), abasic sites and oxypurine clusters were quantified. The total DNA damage yields per absorbed dose induced in non-radioquenching solution decreased with LET, with minor variations in radioquenching conditions being detected. However, the total damage yields per particle fluence increased with LET in both conditions, indicating a higher efficiency per particle to induce clustered DNA damages. The yields of DSBs and non-DSB clusters as well as the damage spectra varied with LET and DNA milieu, suggesting the involvement of more than one mechanism in the formation of the different types of clustered damages.
Kinetic energy budgets in areas of convection
NASA Technical Reports Server (NTRS)
Fuelberg, H. E.
1979-01-01
Synoptic scale budgets of kinetic energy are computed using 3 and 6 h data from three of NASA's Atmospheric Variability Experiments (AVE's). Numerous areas of intense convection occurred during the three experiments. Large kinetic energy variability, with periods as short as 6 h, is observed in budgets computed over each entire experiment area and over limited volumes that barely enclose the convection and move with it. Kinetic energy generation and transport processes in the smaller volumes are often a maximum when the enclosed storms are near peak intensity, but the nature of the various energy processes differs between storm cases and seems closely related to the synoptic conditions. A commonly observed energy budget for peak storm intensity indicates that generation of kinetic energy by cross-contour flow is the major energy source while dissipation to subgrid scales is the major sink. Synoptic scale vertical motion transports kinetic energy from lower to upper levels of the atmosphere while low-level horizontal flux convergence and upper-level horizontal divergence also occur. Spatial fields of the energy budget terms show that the storm environment is a major center of energy activity for the entire area.
Kinetic-energy-momentum tensor in electrodynamics
NASA Astrophysics Data System (ADS)
Sheppard, Cheyenne J.; Kemp, Brandon A.
2016-01-01
We show that the Einstein-Laub formulation of electrodynamics is invalid since it yields a stress-energy-momentum (SEM) tensor that is not frame invariant. Two leading hypotheses for the kinetic formulation of electrodynamics (Chu and Einstein-Laub) are studied by use of the relativistic principle of virtual power, mathematical modeling, Lagrangian methods, and SEM transformations. The relativistic principle of virtual power is used to demonstrate the field dynamics associated with energy relations within a relativistic framework. Lorentz transformations of the respective SEM tensors demonstrate the relativistic frameworks for each studied formulation. Mathematical modeling of stationary and moving media is used to illustrate the differences and discrepancies of specific proposed kinetic formulations, where energy relations and conservation theorems are employed. Lagrangian methods are utilized to derive the field kinetic Maxwell's equations, which are studied with respect to SEM tensor transforms. Within each analysis, the Einstein-Laub formulation violates special relativity, which invalidates the Einstein-Laub SEM tensor.
Turbulence kinetic energy equation for dilute suspensions
NASA Technical Reports Server (NTRS)
Abou-Arab, T. W.; Roco, M. C.
1989-01-01
A multiphase turbulence closure model is presented which employs one transport equation, namely the turbulence kinetic energy equation. The proposed form of this equation is different from the earlier formulations in some aspects. The power spectrum of the carrier fluid is divided into two regions, which interact in different ways and at different rates with the suspended particles as a function of the particle-eddy size ratio and density ratio. The length scale is described algebraically. A mass/time averaging procedure for the momentum and kinetic energy equations is adopted. The resulting turbulence correlations are modeled under less retrictive assumptions comparative to previous work. The closures for the momentum and kinetic energy equations are given. Comparisons of the predictions with experimental results on liquid-solid jet and gas-solid pipe flow show satisfactory agreement.
Density Scaling of Noninteracting Kinetic Energy Functionals.
Borgoo, Alex; Tozer, David J
2013-05-14
The influence of imposing an approximate density scaling condition on a noninteracting kinetic energy functional is investigated. A simple generalized gradient approximation (GGA) is presented, which satisfies both the density scaling condition and the usual coordinate scaling condition; the remaining multiplicative constant is determined from an energy criterion. In post-Kohn-Sham calculations, noninteracting kinetic energies of the closed-shell molecules of the G1 set determined using the GGA are a modest improvement over those determined using the corresponding local functional, which does not satisfy the density scaling condition. Potential energy curves of CO, F2, and P2 exhibit binding with the GGA, compared to purely repulsive curves with the local functional. Adjusting the exponent in the GGA form in order to optimize energy accuracy violates the density scaling condition, and two of the diatomics no longer exhibit binding. Results are compared with those from other local/GGA functionals in the literature.
Nonlocal kinetic-energy-density functionals
Garcia-Gonzalez, P.; Alvarellos, J.E.; Chacon, E. |
1996-04-01
In this paper we present nonlocal kinetic-energy functionals {ital T}[{ital n}] within the average density approximation (ADA) framework, which do not require any extra input when applied to any electron system and recover the exact kinetic energy and the linear response function of a homogeneous system. In contrast with previous ADA functionals, these present good behavior of the long-range tail of the exact weight function. The averaging procedure for the kinetic functional (averaging the Fermi momentum of the electron gas, instead of averaging the electron density) leads to a functional without numerical difficulties in the calculation of extended systems, and it gives excellent results when applied to atoms and jellium surfaces. {copyright} {ital 1996 The American Physical Society.}
Filamentary and hierarchical pictures - Kinetic energy criterion
NASA Technical Reports Server (NTRS)
Klypin, Anatoly A.; Melott, Adrian L.
1992-01-01
We present a new criterion for formation of second-generation filaments. The criterion called the kinetic energy ratio, KR, is based on comparison of peculiar velocities at different scales. We suggest that the clumpiness of the distribution in some cases might be less important than the 'coldness' or 'hotness' of the flow for formation of coherent structures. The kinetic energy ratio is analogous to the Mach number except for one essential difference. If at some scale KR is greater than 1, as estimated at the linear stage, then when fluctuations of this scale reach nonlinearity, the objects they produce must be anisotropic ('filamentary'). In the case of power-law initial spectra the kinetic ratio criterion suggests that the border line is the power-spectrum with the slope n = -1.
Excess kinetic energy dissipation in materials
Corrales, Louis R.; Chartier, Alain; Devanathan, Ram
2005-01-12
Molecular dynamics computer simulations are used to study the evolution of thermal spikes arising from PKAs in zircon and copper. The effects of thermostats employed to remove energy from the system is characterized and compared to the case where kinetic energy is not removed from the system. Strong effects on the trajectory of the collision sequence is found for zircon, but in contrast, little effects are found for copper.
Conversion of laser energy to gas kinetic energy
NASA Technical Reports Server (NTRS)
Caledonia, G. E.
1976-01-01
Techniques for the gas phase absorption of laser radiation for ultimate conversion to gas kinetic energy are discussed. Particular emphasis is placed on absorption by the vibration rotation bands of diatomic molecules at high pressures. This high pressure absorption appears to offer efficient conversion of laser energy to gas translational energy. Bleaching and chemical effects are minimized and the variation of the total absorption coefficient with temperature is minimal.
Estimation of turbulent kinetic energy dissipation
NASA Astrophysics Data System (ADS)
Chen, Huey-Long; Hondzo, Miki; Rao, A. Ramachandra
2001-06-01
The kinetic energy dissipation rate is one of the key intrinsic fluid flow parameters in environmental fluid dynamics. In an indirect method the kinetic energy dissipation rate is estimated from the Batchelor spectrum. Because the Batchelor spectrum has a significant difference between the highest and lowest spectral values, the spectral bias in the periodogram causes the lower spectral values at higher frequencies to increase. Consequently, the accuracy in fitting the Batchelor spectrum is affected. In this study, the multitaper spectral estimation method is compared to conventional methods in estimating the synthetic temperature gradient spectra. It is shown in the results that the multitaper spectra have less bias than the Hamming window smoothed spectra and the periodogram in estimating the synthetic temperature gradient spectra. The results of fitting the Batchelor spectrum based on four error functions are compared. When the theoretical noise spectrum is available and delineated at the intersection of the estimated spectrum, the fitting results of the kinetic energy dissipation rate corresponding to the four error functions do not have significant differences. However, when the noise spectrum is unknown and part of the Batchelor spectrum overlaps the region where the noise spectrum dominates, the weighted chi-square distributed error function has the best fitting results.
Imperfect dark energy from kinetic gravity braiding
Deffayet, Cédric; Pujolàs, Oriol; Sawicki, Ignacy; Vikman, Alexander E-mail: oriol.pujolas@cern.ch E-mail: alexander.vikman@nyu.edu
2010-10-01
We introduce a large class of scalar-tensor models with interactions containing the second derivatives of the scalar field but not leading to additional degrees of freedom. These models exhibit peculiar features, such as an essential mixing of scalar and tensor kinetic terms, which we have named kinetic braiding. This braiding causes the scalar stress tensor to deviate from the perfect-fluid form. Cosmology in these models possesses a rich phenomenology, even in the limit where the scalar is an exact Goldstone boson. Generically, there are attractor solutions where the scalar monitors the behaviour of external matter. Because of the kinetic braiding, the position of the attractor depends both on the form of the Lagrangian and on the external energy density. The late-time asymptotic of these cosmologies is a de Sitter state. The scalar can exhibit phantom behaviour and is able to cross the phantom divide with neither ghosts nor gradient instabilities. These features provide a new class of models for Dark Energy. As an example, we study in detail a simple one-parameter model. The possible observational signatures of this model include a sizeable Early Dark Energy and a specific equation of state evolving into the final de-Sitter state from a healthy phantom regime.
Kinetic Approach for Laser-Induced Plasmas
Omar, Banaz; Rethfeld, Baerbel
2008-10-22
Non-equilibrium distribution functions of electron gas and phonon gas excited with ultrashort intense laser pulses are calculated for laser-induced plasmas occurring in solids. The excitation during femtosecond irradiation and the subsequent thermalization of the free electrons, as well as the dynamics of phonons are described by kinetic equations. The microscopic collision processes, such as absorption by inverse bremsstrahlung, electron-electron collisions, and electron-phonon interactions are considered by complete Boltzmann collision integrals. We apply our kinetic approach for gold by taking s-band electron into account and compare it with the case of excitation of d-band electrons.
Kinetic energy recovery systems in motor vehicles
NASA Astrophysics Data System (ADS)
Śliwiński, C.
2016-09-01
The article draws attention to the increasing environmental pollution caused by the development of vehicle transport and motorization. Different types of design solutions used in vehicles for the reduction of fuel consumption, and thereby emission of toxic gasses into the atmosphere, were specified. Historical design solutions concerning energy recovery devices in mechanical vehicles which used flywheels to accumulate kinetic energy were shown. Developmental tendencies in the area of vehicle manufacturing in the form of hybrid electric and electric devices were discussed. Furthermore, designs of energy recovery devices with electrical energy storage from the vehicle braking and shock absorbing systems were presented. A mechanical energy storing device using a flywheel operating under vacuum was presented, as were advantages and disadvantages of both systems, the limitations they impose on individual constructions and safety issues. The paper also discusses a design concept of an energy recovery device in mechanical vehicles which uses torsion springs as the main components of energy accumulation during braking. The desirability of a cooperation of both the mechanical- and electrical energy recovery devices was indicated.
Partitioning kinetic energy during freewheeling wheelchair maneuvers.
Medola, Fausto O; Dao, Phuc V; Caspall, Jayme J; Sprigle, Stephen
2014-03-01
This paper describes a systematic method to partition the kinetic energy (KE) of a free-wheeling wheelchair. An ultralightweight rigid frame wheelchair was instrumented with two axle-mounted encoders and data acquisition equipment to accurately measure the velocity of the drive wheels. A mathematical model was created combining physical specifications and geometry of the wheelchair and its components. Two able-bodied subjects propelled the wheelchair over four courses that involved straight and turning maneuvers at differing speeds. The KE of the wheelchair was divided into three components: translational, rotational, and turning energy. This technique was sensitive to the changing contributions of the three energy components across maneuvers. Translational energy represented the major component of total KE in all maneuvers except a zero radius turn in which turning energy was dominant. Both translational and rotational energies are directly related to wheelchair speed. Partitioning KE offers a useful means of investigating the dynamics of a moving wheelchair. The described technique permits analysis of KE imparted to the wheelchair during maneuvers involving changes in speed and direction, which are most representative of mobility in everyday life. This technique can be used to study the effort required to maneuver different types and configurations of wheelchairs.
On Kinetics Modeling of Vibrational Energy Transfer
NASA Technical Reports Server (NTRS)
Gilmore, John O.; Sharma, Surendra P.; Cavolowsky, John A. (Technical Monitor)
1996-01-01
Two models of vibrational energy exchange are compared at equilibrium to the elementary vibrational exchange reaction for a binary mixture. The first model, non-linear in the species vibrational energies, was derived by Schwartz, Slawsky, and Herzfeld (SSH) by considering the detailed kinetics of vibrational energy levels. This model recovers the result demanded at equilibrium by the elementary reaction. The second model is more recent, and is gaining use in certain areas of computational fluid dynamics. This model, linear in the species vibrational energies, is shown not to recover the required equilibrium result. Further, this more recent model is inconsistent with its suggested rate constants in that those rate constants were inferred from measurements by using the SSH model to reduce the data. The non-linear versus linear nature of these two models can lead to significant differences in vibrational energy coupling. Use of the contemporary model may lead to significant misconceptions, especially when integrated in computer codes considering multiple energy coupling mechanisms.
Kinetic energy decomposition scheme based on information theory.
Imamura, Yutaka; Suzuki, Jun; Nakai, Hiromi
2013-12-15
We proposed a novel kinetic energy decomposition analysis based on information theory. Since the Hirshfeld partitioning for electron densities can be formulated in terms of Kullback-Leibler information deficiency in information theory, a similar partitioning for kinetic energy densities was newly proposed. The numerical assessments confirm that the current kinetic energy decomposition scheme provides reasonable chemical pictures for ionic and covalent molecules, and can also estimate atomic energies using a correction with viral ratios.
Conversion of laser energy to gas kinetic energy
NASA Technical Reports Server (NTRS)
Caledonia, G. E.
1975-01-01
Techniques for the gas phase absorption of laser radiation for conversion to gas kinetic energy are discussed. Absorption by inverse Bremsstrahlung, in which laser energy is converted at a gas kinetic rate in a spectrally continuous process, is briefly described, and absorption by molecular vibrational rotation bands is discussed at length. High pressure absorption is proposed as a means of minimizing gas bleaching and dissociation, the major disadvantages of the molecular absorption process. A band model is presented for predicting the molecular absorption spectra in the high pressure absorption region and is applied to the CO molecule. Use of a rare gas seeded with Fe(CO)5 for converting vibrational modes to translation modes is described.
Conversion of laser energy to gas kinetic energy
NASA Technical Reports Server (NTRS)
Caledonia, G. E.
1977-01-01
Techniques for the gas-phase absorption of laser energy with ultimate conversion to heat or directed kinetic energy are reviewed. It is shown that the efficiency of resonance absorption by the vibration/rotation bands of the working gas can be enhanced by operating at sufficiently high pressures so that the linewidths of the absorbing transition exceed the line spacing. Within this limit, the gas can absorb continuously over the full spectral region of the band, and bleaching can be minimized since the manifold of molecular vibrational levels can simultaneously absorb the laser radiation.
Trends in Southern Ocean Eddy Kinetic Energy
NASA Astrophysics Data System (ADS)
Chambers, Don
2016-04-01
A recent study by Hogg et al. (JGR, 2015) has demonstrated a 20-year trend in eddy kinetic energy (EKE) computed from satellite altimetry data. However, this estimate is based on an averaging over large spatial areas. In this study, we use the same methods to examine regional EKE trends throughout the Southern Ocean, from 1993-2015. We do find significant positive trends in several areas of the Southern Ocean, mainly in regions with high mean EKE associated with interactions between jets and bathymetry. At the same time, however, there are also regions with significant negative trends. Overall, EKE in the majority of the Southern Ocean has not changed. These results suggest that the estimates of Hogg et al. may have been biased by these regional extremes, and that more work is needed to quantify climatic changes in EKE.
The Kinetic Energy of a Rotating Figure Skater.
ERIC Educational Resources Information Center
Chen, Wei R.; Troelstra, Arne A.
1998-01-01
When a rotating figure skater's fully extended arms are pulled back toward the torso, the angular velocity is noticeably increased and the kinetic energy of the skater can also be shown to increase. Discusses the change of the kinetic energy during such a process, and the work necessary for such an increase is derived using a dynamic equilibrium…
Kinetic energy budgets in areas of intense convection
NASA Technical Reports Server (NTRS)
Fuelberg, H. E.; Berecek, E. M.; Ebel, D. M.; Jedlovec, G. J.
1980-01-01
A kinetic energy budget analysis of the AVE-SESAME 1 period which coincided with the deadly Red River Valley tornado outbreak is presented. Horizontal flux convergence was found to be the major kinetic energy source to the region, while cross contour destruction was the major sink. Kinetic energy transformations were dominated by processes related to strong jet intrusion into the severe storm area. A kinetic energy budget of the AVE 6 period also is presented. The effects of inherent rawinsonde data errors on widely used basic kinematic parameters, including velocity divergence, vorticity advection, and kinematic vertical motion are described. In addition, an error analysis was performed in terms of the kinetic energy budget equation. Results obtained from downward integration of the continuity equation to obtain kinematic values of vertical motion are described. This alternate procedure shows promising results in severe storm situations.
Zero kinetic energy photoelectron spectroscopy of pyrene.
Zhang, Jie; Han, Fangyuan; Kong, Wei
2010-10-28
We report zero kinetic energy photoelectron (ZEKE) spectroscopy of pyrene via resonantly enhanced multiphoton ionization. Our analysis centers on the symmetry of the first electronically excited state (S(1)), its vibrational modes, and the vibration of the ground cationic state (D(0)). From comparisons between the observed vibrational frequencies and those from ab initio calculations at the configuration interaction singles level using the 6-311G (d,p) basis set, and based on other previous experimental and theoretical reports, we confirm the (1)B(2u) symmetry for the S(1) state. This assignment represents a reversal in the energy order of the two closely spaced electronically excited states from our theoretical calculation, and extensive configuration interactions are attributed to this result. Among the observed vibrational levels of the S(1) state, three are results of vibronic coupling due to the nearby second electronically excited state. The ZEKE spectroscopy obtained via the vibronic levels of the S(1) state reveals similar modes for the cation as those of the intermediate state. Although we believe that the ground ionic state can be considered a single electron configuration, the agreement between theoretical and experimental frequencies for the cation is limited. This result is somewhat surprising based on our previous work on cata-condensed polycyclic aromatic hydrocarbons and small substituted aromatic compounds. Although a relatively small molecule, pyrene demonstrates its nonrigidity via several out-of-plane bending modes corresponding to corrugation of the molecular plane. The adiabatic ionization potential of neutral pyrene is determined to be 59 888 ± 7 cm(-1).
Feynman and the kinetic energy of an ice skater
NASA Astrophysics Data System (ADS)
Pérez, José-Philippe
2016-01-01
By employing the angular momentum and mechanical energy theorems, we analyse the increase of the angular velocity for an ice skater who changes his arms, initially in an horizontal position, along the axis of the body, first with respect to the lab frame, in which a variation of kinetic energy is observed, and then with respect to the rotating frame moving with the skater. In the last one, while there is no variation of kinetic energy between initial and final positions, the work of the centrifugal force is the opposite to the variation of kinetic energy in the lab frame. We discuss the explanation given by Richard Feynman in his Mechanics course.
Zero kinetic energy photoelectron spectroscopy of triphenylene
Harthcock, Colin; Zhang, Jie; Kong, Wei
2014-06-28
We report vibrational information of both the first electronically excited state and the ground cationic state of jet-cooled triphenylene via the techniques of resonantly enhanced multiphoton ionization (REMPI) and zero kinetic energy (ZEKE) photoelectron spectroscopy. The first excited electronic state S{sub 1} of the neutral molecule is of A{sub 1}′ symmetry and is therefore electric dipole forbidden in the D{sub 3h} group. Consequently, there are no observable Franck-Condon allowed totally symmetric a{sub 1}′ vibrational bands in the REMPI spectrum. All observed vibrational transitions are due to Herzberg-Teller vibronic coupling to the E′ third electronically excited state S{sub 3}. The assignment of all vibrational bands as e′ symmetry is based on comparisons with calculations using the time dependent density functional theory and spectroscopic simulations. When an electron is eliminated, the molecular frame undergoes Jahn-Teller distortion, lowering the point group to C{sub 2v} and resulting in two nearly degenerate electronic states of A{sub 2} and B{sub 1} symmetry. Here we follow a crude treatment by assuming that all e′ vibrational modes resolve into b{sub 2} and a{sub 1} modes in the C{sub 2v} molecular frame. Some observed ZEKE transitions are tentatively assigned, and the adiabatic ionization threshold is determined to be 63 365 ± 7 cm{sup −1}. The observed ZEKE spectra contain a consistent pattern, with a cluster of transitions centered near the same vibrational level of the cation as that of the intermediate state, roughly consistent with the propensity rule. However, complete assignment of the detailed vibrational structure due to Jahn-Teller coupling requires much more extensive calculations, which will be performed in the future.
Zero kinetic energy photoelectron spectroscopy of triphenylene
NASA Astrophysics Data System (ADS)
Harthcock, Colin; Zhang, Jie; Kong, Wei
2014-06-01
We report vibrational information of both the first electronically excited state and the ground cationic state of jet-cooled triphenylene via the techniques of resonantly enhanced multiphoton ionization (REMPI) and zero kinetic energy (ZEKE) photoelectron spectroscopy. The first excited electronic state S1 of the neutral molecule is of A1' symmetry and is therefore electric dipole forbidden in the D3h group. Consequently, there are no observable Franck-Condon allowed totally symmetric a1' vibrational bands in the REMPI spectrum. All observed vibrational transitions are due to Herzberg-Teller vibronic coupling to the E' third electronically excited state S3. The assignment of all vibrational bands as e' symmetry is based on comparisons with calculations using the time dependent density functional theory and spectroscopic simulations. When an electron is eliminated, the molecular frame undergoes Jahn-Teller distortion, lowering the point group to C2v and resulting in two nearly degenerate electronic states of A2 and B1 symmetry. Here we follow a crude treatment by assuming that all e' vibrational modes resolve into b2 and a1 modes in the C2v molecular frame. Some observed ZEKE transitions are tentatively assigned, and the adiabatic ionization threshold is determined to be 63 365 ± 7 cm-1. The observed ZEKE spectra contain a consistent pattern, with a cluster of transitions centered near the same vibrational level of the cation as that of the intermediate state, roughly consistent with the propensity rule. However, complete assignment of the detailed vibrational structure due to Jahn-Teller coupling requires much more extensive calculations, which will be performed in the future.
Zero kinetic energy photoelectron spectroscopy of triphenylene.
Harthcock, Colin; Zhang, Jie; Kong, Wei
2014-06-28
We report vibrational information of both the first electronically excited state and the ground cationic state of jet-cooled triphenylene via the techniques of resonantly enhanced multiphoton ionization (REMPI) and zero kinetic energy (ZEKE) photoelectron spectroscopy. The first excited electronic state S1 of the neutral molecule is of A1' symmetry and is therefore electric dipole forbidden in the D3h group. Consequently, there are no observable Franck-Condon allowed totally symmetric a1' vibrational bands in the REMPI spectrum. All observed vibrational transitions are due to Herzberg-Teller vibronic coupling to the E' third electronically excited state S3. The assignment of all vibrational bands as e' symmetry is based on comparisons with calculations using the time dependent density functional theory and spectroscopic simulations. When an electron is eliminated, the molecular frame undergoes Jahn-Teller distortion, lowering the point group to C2v and resulting in two nearly degenerate electronic states of A2 and B1 symmetry. Here we follow a crude treatment by assuming that all e' vibrational modes resolve into b2 and a1 modes in the C2v molecular frame. Some observed ZEKE transitions are tentatively assigned, and the adiabatic ionization threshold is determined to be 63 365 ± 7 cm(-1). The observed ZEKE spectra contain a consistent pattern, with a cluster of transitions centered near the same vibrational level of the cation as that of the intermediate state, roughly consistent with the propensity rule. However, complete assignment of the detailed vibrational structure due to Jahn-Teller coupling requires much more extensive calculations, which will be performed in the future.
Spectral kinetic energy transfer in turbulent premixed reacting flows.
Towery, C A Z; Poludnenko, A Y; Urzay, J; O'Brien, J; Ihme, M; Hamlington, P E
2016-05-01
Spectral kinetic energy transfer by advective processes in turbulent premixed reacting flows is examined using data from a direct numerical simulation of a statistically planar turbulent premixed flame. Two-dimensional turbulence kinetic-energy spectra conditioned on the planar-averaged reactant mass fraction are computed through the flame brush and variations in the spectra are connected to terms in the spectral kinetic energy transport equation. Conditional kinetic energy spectra show that turbulent small-scale motions are suppressed in the burnt combustion products, while the energy content of the mean flow increases. An analysis of spectral kinetic energy transfer further indicates that, contrary to the net down-scale transfer of energy found in the unburnt reactants, advective processes transfer energy from small to large scales in the flame brush close to the products. Triadic interactions calculated through the flame brush show that this net up-scale transfer of energy occurs primarily at spatial scales near the laminar flame thermal width. The present results thus indicate that advective processes in premixed reacting flows contribute to energy backscatter near the scale of the flame.
Kinetic Energy Principle And Neoclassical Toroidal Torque In Tokamaks
Jong-Kyu Park
2011-11-07
It is shown that when tokamaks are perturbed the kinetic energy principle is closely related to the neoclassical toroidal torque by the action invariance of particles. Especially when tokamaks are perturbed from scalar pressure equilibria, the imaginary part of the potential energy in the kinetic energy principle is equivalent to the toroidal torque by the Neoclassical Toroidal Viscosity (NTV). A unified description therefore should be made for both physics. It is also shown in this case that the potential energy operator can be self-adjoint and thus the stability calculation can be simplified by minimizing the potential energy
On the Linearly-Balanced Kinetic Energy Spectrum
NASA Technical Reports Server (NTRS)
Lu, Huei,-Iin; Robertson, F. R.
1999-01-01
It is well known that the earth's atmospheric motion can generally be characterized by the two dimensional quasi-geostrophic approximation, in which the constraints on global integrals of kinetic energy, entrophy and potential vorticity play very important roles in redistributing the wave energy among different scales of motion. Assuming the hypothesis of Kolmogrov's local isotropy, derived a -3 power law of the equilibrium two-dimensional kinetic energy spectrum that entails constant vorticity and zero energy flows from the energy-containing wave number up to the viscous cutoff. In his three dimensional quasi-geostrophic theory, showed that the spectrum function of the vertical scale turbulence - expressible in terms of the available potential energy - possesses the same power law as the two dimensional kinetic energy spectrum. As the slope of kinetic energy spectrum in the inertial range is theoretically related to the predictability of the synoptic scales (Lorenz, 1969), many general circulation models includes a horizontal diffusion to provide reasonable kinetic energy spectra, although the actual power law exhibited in the atmospheric general circulation is controversial. Note that in either the atmospheric modeling or the observational analyses, the proper choice of wave number Index to represent the turbulence scale Is the degree of the Legendre polynomial.
Transition of energy transfer from MHD turbulence to kinetic plasma
NASA Astrophysics Data System (ADS)
Yang, Yan; Matthaeus, William; Parashar, Tulasi; Shi, Yipeng; Wan, Minping; Chen, Shiyi
2016-11-01
The classical energy cascade scenario is of great importance in explaining the heating of corona and solar wind. One can envision that energy residing in large-scale fluctuations is transported to smaller scales where dissipation occurs and finally drives kinetic processes that absorb the energy flux and energize charged particles. Here we inquire how the cascade operates in a compressible plasma, and how the characteristics of energy transfer vary going from MHD to kinetic scales. When filtering MHD equations, we can get an apparent inertial range over which the conservative energy cascade occurs and the scale locality of energy transfer is similar to the cases of incompressible MHD turbulence. Pervasive shocks not only make a significant difference on energy cascade and magnetic amplification, but can also introduce considerable pressure dilation, a complement of viscous and ohmic dissipation that can trigger an alternative channel of the conversion between kinetic and internal energy. The procedure can also be applied to the Vlasov equation and kinetic simulation, in comparison with MHD turbulence, and is a good candidate to investigate the energy cascade process and the analogous role of the (tensor) pressure dilation in collisionless plasma.
Renormalizing the Kinetic Energy Operator in Elementary Quantum Mechanics
ERIC Educational Resources Information Center
Coutinho, F. A. B.; Amaku, M.
2009-01-01
In this paper, we consider solutions to the three-dimensional Schrodinger equation of the form [psi](r) = u(r)/r, where u(0) [is not equal to] 0. The expectation value of the kinetic energy operator for such wavefunctions diverges. We show that it is possible to introduce a potential energy with an expectation value that also diverges, exactly…
Reaction wheels for kinetic energy storage
NASA Technical Reports Server (NTRS)
Studer, P. A.
1984-01-01
In contrast to all existing reaction wheel implementations, an order of magnitude increase in speed can be obtained efficiently if power to the actuators can be recovered. This allows a combined attitude control-energy storage system to be developed with structure mounted reaction wheels. The feasibility of combining reaction wheels with energy storage wwheels is demonstrated. The power required for control torques is a function of wheel speed but this energy is not dissipated; it is stored in the wheel. The I(2)R loss resulting from a given torque is shown to be constant, independent of the design speed of the motor. What remains, in order to efficiently use high speed wheels (essential for energy storage) for control purposes, is to reduce rotational losses to acceptable levels. Progress was made in permanent magnet motor design for high speed operation. Variable field motors offer more control flexibility and efficiency over a broader speed range.
A Note on Kinetic Energy, Dissipation and Enstrophy
NASA Technical Reports Server (NTRS)
Wu, Jie-Zhi; Zhou, Ye; Fan, Meng
1998-01-01
The dissipation rate of a Newtonian fluid with constant shear viscosity can be shown to include three constituents: dilatation, vorticity, and surface strain. The last one is found to make no contributions to the change of kinetic energy. These dissipation constituents arc used to identify typical compact turbulent flow structures at high Reynolds numbers. The incompressible version of the simplified kinetic-energy equation is then cast to a novel form, which is free from the work rate done by surface stresses but in which the full dissipation re-enters.
Energy landscapes, folding mechanisms, and kinetics of RNA tetraloop hairpins.
Chakraborty, Debayan; Collepardo-Guevara, Rosana; Wales, David J
2014-12-31
RNA hairpins play a pivotal role in a diverse range of cellular functions, and are integral components of ribozymes, mRNA, and riboswitches. However, the mechanistic and kinetic details of RNA hairpin folding, which are key determinants of most of its biological functions, are poorly understood. In this work, we use the discrete path sampling (DPS) approach to explore the energy landscapes of two RNA tetraloop hairpins, and provide insights into their folding mechanisms and kinetics in atomistic detail. Our results show that the potential energy landscapes have a distinct funnel-like bias toward the folded hairpin state, consistent with efficient structure-seeking properties. Mechanistic and kinetic information is analyzed in terms of kinetic transition networks. We find microsecond folding times, consistent with temperature jump experiments, for hairpin folding initiated from relatively compact unfolded states. This process is essentially driven by an initial collapse, followed by rapid zippering of the helix stem in the final phase. Much lower folding rates are predicted when the folding is initiated from extended chains, which undergo longer excursions on the energy landscape before nucleation events can occur. Our work therefore explains recent experiments and coarse-grained simulations, where the folding kinetics exhibit precisely this dependency on the initial conditions.
Evaluating rainfall kinetic energy - intensity relationships with observed disdrometric data
NASA Astrophysics Data System (ADS)
Angulo-Martinez, Marta; Begueria, Santiago; Latorre, Borja
2016-04-01
Rainfall kinetic energy is required for determining erosivity, the ability of rainfall to detach soil particles and initiate erosion. Its determination relay on the use of disdrometers, i.e. devices capable of measuring the drop size distribution and velocity of falling raindrops. In the absence of such devices, rainfall kinetic energy is usually estimated with empirical expressions relating rainfall energy and intensity. We evaluated the performance of 14 rainfall energy equations in estimating one-minute rainfall energy and event total energy, in comparison with observed data from 821 rainfall episodes (more than 100 thousand one-minute observations) by means of an optical disdrometer. In addition, two sources of bias when using such relationships were evaluated: i) the influence of using theoretical terminal raindrop fall velocities instead of measured values; and ii) the influence of time aggregation (rainfall intensity data every 5-, 10-, 15-, 30-, and 60-minutes). Empirical relationships did a relatively good job when complete events were considered (R2 > 0.82), but offered poorer results for within-event (one-minute resolution) variation. Also, systematic biases where large for many equations. When raindrop size distribution was known, estimating the terminal fall velocities by empirical laws produced good results even at fine time resolution. The influence of time aggregation was very high in the estimated kinetic energy, although linear scaling may allow empirical correction. This results stress the importance of considering all these effects when rainfall energy needs to be estimated from more standard precipitation records. , and recommends the use of disdrometer data to locally determine rainfall kinetic energy.
Momentum and Kinetic Energy: Confusable Concepts in Secondary School Physics
ERIC Educational Resources Information Center
Bryce, T. G. K.; MacMillan, K.
2009-01-01
Researchers and practitioners alike express concerns about the conceptual difficulties associated with the concepts of momentum and kinetic energy currently taught in school physics. This article presents an in-depth analysis of the treatment given to them in 44 published textbooks written for UK secondary school certificate courses. This is set…
Mass, Momentum and Kinetic Energy of a Relativistic Particle
ERIC Educational Resources Information Center
Zanchini, Enzo
2010-01-01
A rigorous definition of mass in special relativity, proposed in a recent paper, is recalled and employed to obtain simple and rigorous deductions of the expressions of momentum and kinetic energy for a relativistic particle. The whole logical framework appears as the natural extension of the classical one. Only the first, second and third laws of…
Unified Technical Concepts. Module 7: Potential and Kinetic Energy.
ERIC Educational Resources Information Center
Technical Education Research Center, Waco, TX.
This concept module on potential and kinetic energy is one of thirteen modules that provide a flexible, laboratory-based physics instructional package designed to meet the specialized needs of students in two-year, postsecondary technical schools. Each of the thirteen concept modules discusses a single physics concept and how it is applied to each…
Kinetic-energy density functional: Atoms and shell structure
Garcia-Gonzalez, P.; Alvarellos, J.E.; Chacon, E. |
1996-09-01
We present a nonlocal kinetic-energy functional which includes an anisotropic average of the density through a symmetrization procedure. This functional allows a better description of the nonlocal effects of the electron system. The main consequence of the symmetrization is the appearance of a clear shell structure in the atomic density profiles, obtained after the minimization of the total energy. Although previous results with some of the nonlocal kinetic functionals have given incipient structures for heavy atoms, only our functional shows a clear shell structure for most of the atoms. The atomic total energies have a good agreement with the exact calculations. Discussion of the chemical potential and the first ionization potential in atoms is included. The functional is also extended to spin-polarized systems. {copyright} {ital 1996 The American Physical Society.}
Systems engineering analysis of kinetic energy weapon concepts
Senglaub, M.
1996-06-01
This study examines, from a systems engineering design perspective, the potential of kinetic energy weapons being used in the role of a conventional strategic weapon. Within the Department of Energy (DOE) complex, strategic weapon experience falls predominantly in the nuclear weapons arena. The techniques developed over the years may not be the most suitable methodologies for use in a new design/development arena. For this reason a more fundamental approach was pursued with the objective of developing an information base from which design decisions might be made concerning the conventional strategic weapon system concepts. The study examined (1) a number of generic missions, (2) the effects of a number of damage mechanisms from a physics perspective, (3) measures of effectiveness (MOE`s), and (4) a design envelope for kinetic energy weapon concepts. With the base of information a cut at developing a set of high-level system requirements was made, and a number of concepts were assessed against these requirements.
Covalent bonding: the fundamental role of the kinetic energy.
Bacskay, George B; Nordholm, Sture
2013-08-22
This work addresses the continuing disagreement between two prevalent schools of thought concerning the mechanism of covalent bonding. According to Hellmann, Ruedenberg, and Kutzelnigg, a lowering of the kinetic energy associated with electron delocalization is the key stabilization mechanism. The opposing view of Slater, Feynman, and Bader has maintained that the source of stabilization is electrostatic potential energy lowering due to electron density redistribution to binding regions between nuclei. Despite the large body of accurate quantum chemical work on a range of molecules, the debate concerning the origin of bonding continues unabated, even for H2(+), the simplest of covalently bound molecules. We therefore present here a detailed study of H2(+), including its formation, that uses a sequence of computational methods designed to reveal the relevant contributing mechanisms as well as the spatial density distributions of the kinetic and potential energy contributions. We find that the electrostatic mechanism fails to provide real insight or explanation of bonding, while the kinetic energy mechanism is sound and accurate but complex or even paradoxical to those preferring the apparent simplicity of the electrostatic model. We further argue that the underlying mechanism of bonding is in fact of dynamical character, and analyses that focus on energy do not reveal the origin of covalent bonding in full clarity.
Programmable energy landscapes for kinetic control of DNA strand displacement.
Machinek, Robert R F; Ouldridge, Thomas E; Haley, Natalie E C; Bath, Jonathan; Turberfield, Andrew J
2014-11-10
DNA is used to construct synthetic systems that sense, actuate, move and compute. The operation of many dynamic DNA devices depends on toehold-mediated strand displacement, by which one DNA strand displaces another from a duplex. Kinetic control of strand displacement is particularly important in autonomous molecular machinery and molecular computation, in which non-equilibrium systems are controlled through rates of competing processes. Here, we introduce a new method based on the creation of mismatched base pairs as kinetic barriers to strand displacement. Reaction rate constants can be tuned across three orders of magnitude by altering the position of such a defect without significantly changing the stabilities of reactants or products. By modelling reaction free-energy landscapes, we explore the mechanistic basis of this control mechanism. We also demonstrate that oxDNA, a coarse-grained model of DNA, is capable of accurately predicting and explaining the impact of mismatches on displacement kinetics.
Effects of directed and kinetic energy weapons on spacecraft
Fraas, A P
1986-12-01
The characteristics of the various directed energy beams are reviewed, and their damaging effects on typical materials are examined for a wide range of energy pulse intensities and durations. Representative cases are surveyed, and charts are presented to indicate regions in which damage to spacecraft structures, particularly radiators for power plants, would be likely. The effects of kinetic energy weapons, such as bird-shot, are similarly examined. The charts are then applied to evaluate the effectiveness of various measures designed to reduce the vulnerability of spacecraft components, particularly nuclear electric power plants.
Possible explanation of the atmospheric kinetic and potential energy spectra.
Vallgren, Andreas; Deusebio, Enrico; Lindborg, Erik
2011-12-23
We hypothesize that the observed wave number spectra of kinetic and potential energy in the atmosphere can be explained by assuming that there are two related cascade processes emanating from the same large-scale energy source, a downscale cascade of potential enstrophy, giving rise to the k(-3) spectrum at synoptic scales and a downscale energy cascade giving rise to the k(-5/3) spectrum at mesoscales. The amount of energy which is going into the downscale energy cascade is determined by the rate of system rotation, with negligible energy going downscale in the limit of very fast rotation. We present a set of simulations of a system with strong rotation and stratification, supporting these hypotheses and showing good agreement with observations.
Kinetics of Reactions of Monomeric Nitrosomethane Induced by Flash Photolysis.
ERIC Educational Resources Information Center
Kozubek, H.; And Others
1984-01-01
Describes an experiment in which the kinetics of dimerization of nitrosamine induced by a flash of light is measured. The experiment can be performed with a commercial ultraviolet-VIS spetrophotometer with easy to make modifications. The experiment demonstrates a flash photolysis system not always available in university chemistry laboratories.…
Reaction Path Optimization with Holonomic Constraints and Kinetic Energy Potentials
Brokaw, Jason B.; Haas, Kevin R.; Chu, Jhih-wei
2009-08-11
Two methods are developed to enhance the stability, efficiency, and robustness of reaction path optimization using a chain of replicas. First, distances between replicas are kept equal during path optimization via holonomic constraints. Finding a reaction path is, thus, transformed into a constrained optimization problem. This approach avoids force projections for finding minimum energy paths (MEPs), and fast-converging schemes such as quasi-Newton methods can be readily applied. Second, we define a new objective function - the total Hamiltonian - for reaction path optimization, by combining the kinetic energy potential of each replica with its potential energy function. Minimizing the total Hamiltonian of a chain determines a minimum Hamiltonian path (MHP). If the distances between replicas are kept equal and a consistent force constant is used, then the kinetic energy potentials of all replicas have the same value. The MHP in this case is the most probable isokinetic path. Our results indicate that low-temperature kinetic energy potentials (<5 K) can be used to prevent the development of kinks during path optimization and can significantly reduce the required steps of minimization by 2-3 times without causing noticeable differences between a MHP and MEP. These methods are applied to three test cases, the C₇eq-to-Cax isomerization of an alanine dipeptide, the ⁴C₁- to-¹C₄ transition of an α-D-glucopyranose, and the helix-to-sheet transition of a GNNQQNY heptapeptide. By applying the methods developed in this work, convergence of reaction path optimization can be achieved for these complex transitions, involving full atomic details and a large number of replicas (>100). For the case of helix-to-sheet transition, we identify pathways whose energy barriers are consistent with experimental measurements. Further, we develop a method based on the work energy theorem to quantify the accuracy of reaction paths and to determine whether the atoms used to define a
Reaction Path Optimization with Holonomic Constraints and Kinetic Energy Potentials.
Brokaw, Jason B; Haas, Kevin R; Chu, Jhih-Wei
2009-08-11
Two methods are developed to enhance the stability, efficiency, and robustness of reaction path optimization using a chain of replicas. First, distances between replicas are kept equal during path optimization via holonomic constraints. Finding a reaction path is, thus, transformed into a constrained optimization problem. This approach avoids force projections for finding minimum energy paths (MEPs), and fast-converging schemes such as quasi-Newton methods can be readily applied. Second, we define a new objective function - the total Hamiltonian - for reaction path optimization, by combining the kinetic energy potential of each replica with its potential energy function. Minimizing the total Hamiltonian of a chain determines a minimum Hamiltonian path (MHP). If the distances between replicas are kept equal and a consistent force constant is used, then the kinetic energy potentials of all replicas have the same value. The MHP in this case is the most probable isokinetic path. Our results indicate that low-temperature kinetic energy potentials (<5 K) can be used to prevent the development of kinks during path optimization and can significantly reduce the required steps of minimization by 2-3 times without causing noticeable differences between a MHP and MEP. These methods are applied to three test cases, the C7eq-to-Cax isomerization of an alanine dipeptide, the (4)C1-to-(1)C4 transition of an α-d-glucopyranose, and the helix-to-sheet transition of a GNNQQNY heptapeptide. By applying the methods developed in this work, convergence of reaction path optimization can be achieved for these complex transitions, involving full atomic details and a large number of replicas (>100). For the case of helix-to-sheet transition, we identify pathways whose energy barriers are consistent with experimental measurements. Further, we develop a method based on the work energy theorem to quantify the accuracy of reaction paths and to determine whether the atoms used to define a path
Plasmadynamics and ionization kinetics of thermionic energy conversion
Lawless, J.L. Jr.; Lam, S.H.
1982-02-01
To reduce the plasma arc-drop, thermionic energy conversion is studied with both analytical and numerical tools. Simplifications are made in both the plasmadynamic and ionization-recombination theories. These are applied to a scheme proposed presently using laser irradiation to enhance the ionization kinetics of the thermionic plasma and thereby reduce the arc-drop. It is also predicted that it is possible to generate the required laser light from a thermionic-type cesium plasma. The analysis takes advantage of theoretical simplifications derived for the ionization-recombination kinetics. It is shown that large laser ionization enhancements can occur and that collisional cesium recombination lasing is expected. To complement the kinetic theory, a numerical method is developed to solve the thermionic plasma dynamics. To combine the analysis of ionization-recombination kinetics with the plasma dynamics of thermionic conversion, a finite difference computer program is constructed. It is capable of solving for both unsteady and steady thermionic converter behavior including possible laser ionization enhancement or atomic recombination lasing. A proposal to improve thermionic converter performance using laser radiation is considered. In this proposed scheme, laser radiation impinging on a thermionic plasma enhances the ionization process thereby raising the plasma density and reducing the plasma arc-drop. A source for such radiation may possibly be a cesium recombination laser operating in a different thermionic converter. The possibility of this being an energy efficient process is discussed. (WHK)
Kinetic Modeling of Laser-Induced Fusion
2007-09-01
Thermal neutrons are of considerable interest to the Department of Defense and for commercial applications. Unlike high- energy photons, neutrons easily...develop a compact generator for thermal neutrons with large enough flux. The limited availability of radio-isotopes, combined with the relatively...Deuterium-Tritium (D-T) fusion, which generates Alpha particles and fast neutrons . In these sources, Deuterium ions are accelerated to about 130 keV and hit
Kinetic Modeling of Laser Induced Fusion
2007-07-01
distribution unlimited (PA #07298A). 13. SUPPLEMENTARY NOTES For presentation at AFRL and AFOSR. 14. ABSTRACT Thermal neutrons are of...considerable interest to the Department of Defense and for commercial applications. Unlike high-energy photons, neutrons easily penetrate high density...for thermal neutrons with large enough flux. The limited availability of radio-isotopes, combined with the relatively short half-life, safety
A study of the kinetic energy generation with general circulation models
NASA Technical Reports Server (NTRS)
Chen, T.-C.; Lee, Y.-H.
1983-01-01
The history data of winter simulation by the GLAS climate model and the NCAR community climate model are used to examine the generation of atmospheric kinetic energy. The contrast between the geographic distributions of the generation of kinetic energy and divergence of kinetic energy flux shows that kinetic energy is generated in the upstream side of jets, transported to the downstream side and destroyed there. The contributions from the time-mean and transient modes to the counterbalance between generation of kinetic energy and divergence of kinetic energy flux are also investigated. It is observed that the kinetic energy generated by the time-mean mode is essentially redistributed by the time-mean flow, while that generated by the transient flow is mainly responsible for the maintenance of the kinetic energy of the entire atmospheric flow.
NASA Astrophysics Data System (ADS)
Meneveau, Charles
2015-11-01
A topic that elicited the interest of John Lumley is pressure transport in turbulence. In 1978 (JL, in Advances in Applied Mechanics, pages 123-176) he showed that pressure transport likely acts in the opposite direction to the spatial flux of kinetic energy due to triple velocity correlations. Here we examine a flow in which the interplay of turbulent decay and spatial transport is particularly relevant. Specifically, using a specially designed active grid and screens placed in the Corrsin wind tunnel, such a flow is realized. Data are acquired using X-wire thermal anemometry at different spanwise and downstream locations. In order to resolve the dissipation rate accurately, measurements are also acquired using the NSTAP probe developed and manufactured by Princeton researchers and kindly provided to us (M. Hultmark, Y. Fan, L. Smits). The results show power-law decay with downstream distance, with a decay exponent that becomes larger in the high kinetic energy side of the flow. Measurements of the dissipation enable us to obtain the spanwise gradient of the spatial flux. One possible explanation for the observations is upgrading transport of kinetic energy due to pressure-velocity correlations, although its magnitude required to close the budget appears very large. Absence of simultaneous pressure velocity measurement preclude us to fully elucidate the observed trends. In collaboration with Adrien Thormann, Johns Hopkins University. Financial support: National Science Foundation.
Biomineralization mechanisms: a kinetics and interfacial energy approach
NASA Astrophysics Data System (ADS)
Nancollas, George H.; Wu, Wenju
2000-04-01
The calcium phosphates and oxalates are among the most frequently encountered biomineral phases and numerous kinetics studies have been made of their crystallization and dissolution in supersaturated and undersaturated solutions, respectively. These have focused mainly on parameters such as solution composition, ionic strength, pH, temperature, and solid surface characteristics. There is considerable interest in extending such studies to solutions more closely simulating the biological milieu. The constant composition method is especially useful for investigating the mechanisms of these reactions, and in the present work, the interfacial tensions between water and each of these surfaces have been calculated from measured contact angles using surface tension component theory. Values for the calcium phosphate phases such as dicalcium phosphate dihydrate (DCPD), octacalcium phosphate (OCP), hydroxyapatite (HAP), and fluorapatite (FAP) may be compared with data calculated from dissolution kinetics experiments invoking different reaction mechanisms. Agreement between the directly measured interfacial energies and those calculated from the kinetics experiments provides valuable corroborative information about individual growth and dissolution mechanisms. For the calcium phosphates, the much smaller interfacial tensions of OCP and DCPD in contact with water as compared with those of HAP and FAP support the suggestion that the former phases are precursors in HAP and FAP biomineralization. The ability of a surface to nucleate mineral phases is closely related to the magnitude of the interfacial energies. Constant composition studies have also shown that HAP is an effective nucleator of calcium oxalate monohydrate, both of which are frequently observed in renal stones.
Nowcasting of kinetic energy of hail precipitation using radar
NASA Astrophysics Data System (ADS)
Sánchez, J. L.; López, L.; García-Ortega, E.; Gil, B.
2013-04-01
The detection of hail precipitation generated by a storm is a complicated task due to the limited spatial extension and the space-time irregularity of impacts generated on the ground. Some of the most extensive methods to create climatology of these impacts are observer networks or hailpad networks. Both methods are affected by numerous inconveniences, overall when it is necessary to work with an extensive area, in which it is necessary to maintain an operating network that has numerous maintenance costs. In this sense, there are numerous works done that have developed different models with the objective of detecting hail precipitation using meteorological radar. Some of these methods use discriminant statistic techniques that, through the combination of different radar parameters, can achieve very satisfactory results. On the other hand, it would be very interesting to know not only the probability of hail, but also some of the characteristics of the hailstones precipitated, such as the number or their kinetic energy, since these parameters are directly related to the damage generated in infrastructures and/or crops. The estimation of kinetic energy of hail precipitation using meteorological radar has caught the interest of some authors. In our case, we used the databases obtained by hailpad networks and the databases of C-band and S-Band radar to build an algorithm to estimate the vertical component of kinetic energy produced by a hail precipitation. In order to carry out this study, data on hail was gathered and analyzed from the hailpad networks in the province of Zaragoza (in the north-east of Spain) and the province of Mendoza (in Argentina, close to the Andes range on the border with Chile). These are two geographically distant regions, but which share a common characteristic: a high frequency of storms with hail precipitation, mainly during the summer months (Sánchez et al., 2009a). In order to compile the database, we have established two categories of
Spectral Energy Transfer and Dissipation of Magnetic Energy from Fluid to Kinetic Scales
Bowers, K.; Li, H.
2007-01-19
We investigate the magnetic energy transfer from the fluid to kinetic scales and dissipation processes using three-dimensional fully kinetic particle-in-cell plasma simulations. The nonlinear evolution of a sheet pinch is studied where we show that it exhibits both fluid scale global relaxation and kinetic scale collisionless reconnection at multiple resonant surfaces. The interactions among collisionless tearing modes destroy the original flux surfaces and produce stochastic fields, along with generating sheets and filaments of intensified currents. In addition, the magnetic energy is transferred from the original shear length scale both to the large scales due to the global relaxation and to the smaller, kinetic scales for dissipation. The dissipation is dominated by the thermal or pressure effect in the generalized Ohm's law, and electrons are preferentially accelerated.
Zhao, Linjie; Sun, Tanlin; Pei, Jianfeng; Ouyang, Qi
2015-07-28
It has been a consensus in cancer research that cancer is a disease caused primarily by genomic alterations, especially somatic mutations. However, the mechanism of mutation-induced oncogenesis is not fully understood. Here, we used the mitochondrial apoptotic pathway as a case study and performed a systematic analysis of integrating pathway dynamics with protein interaction kinetics to quantitatively investigate the causal molecular mechanism of mutation-induced oncogenesis. A mathematical model of the regulatory network was constructed to establish the functional role of dynamic bifurcation in the apoptotic process. The oncogenic mutation enrichment of each of the protein functional domains involved was found strongly correlated with the parameter sensitivity of the bifurcation point. We further dissected the causal mechanism underlying this correlation by evaluating the mutational influence on protein interaction kinetics using molecular dynamics simulation. We analyzed 29 matched mutant-wild-type and 16 matched SNP--wild-type protein systems. We found that the binding kinetics changes reflected by the changes of free energy changes induced by protein interaction mutations, which induce variations in the sensitive parameters of the bifurcation point, were a major cause of apoptosis pathway dysfunction, and mutations involved in sensitive interaction domains show high oncogenic potential. Our analysis provided a molecular basis for connecting protein mutations, protein interaction kinetics, network dynamics properties, and physiological function of a regulatory network. These insights provide a framework for coupling mutation genotype to tumorigenesis phenotype and help elucidate the logic of cancer initiation.
Zhao, Linjie; Sun, Tanlin; Pei, Jianfeng; Ouyang, Qi
2015-01-01
It has been a consensus in cancer research that cancer is a disease caused primarily by genomic alterations, especially somatic mutations. However, the mechanism of mutation-induced oncogenesis is not fully understood. Here, we used the mitochondrial apoptotic pathway as a case study and performed a systematic analysis of integrating pathway dynamics with protein interaction kinetics to quantitatively investigate the causal molecular mechanism of mutation-induced oncogenesis. A mathematical model of the regulatory network was constructed to establish the functional role of dynamic bifurcation in the apoptotic process. The oncogenic mutation enrichment of each of the protein functional domains involved was found strongly correlated with the parameter sensitivity of the bifurcation point. We further dissected the causal mechanism underlying this correlation by evaluating the mutational influence on protein interaction kinetics using molecular dynamics simulation. We analyzed 29 matched mutant–wild-type and 16 matched SNP—wild-type protein systems. We found that the binding kinetics changes reflected by the changes of free energy changes induced by protein interaction mutations, which induce variations in the sensitive parameters of the bifurcation point, were a major cause of apoptosis pathway dysfunction, and mutations involved in sensitive interaction domains show high oncogenic potential. Our analysis provided a molecular basis for connecting protein mutations, protein interaction kinetics, network dynamics properties, and physiological function of a regulatory network. These insights provide a framework for coupling mutation genotype to tumorigenesis phenotype and help elucidate the logic of cancer initiation. PMID:26170328
Momentum and kinetic energy before the tackle in rugby union.
Hendricks, Sharief; Karpul, David; Lambert, Mike
2014-09-01
Understanding the physical demands of a tackle in match situations is important for safe and effective training, developing equipment and research. Physical components such as momentum and kinetic energy, and it relationship to tackle outcome is not known. The aim of this study was to compare momenta between ball-carrier and tackler, level of play (elite, university and junior) and position (forwards vs. backs), and describe the relationship between ball-carrier and tackler mass, velocity and momentum and the tackle outcome. Also, report on the ball-carrier and tackler kinetic energy before contact and the estimated magnitude of impact (energy distributed between ball-carrier and tackler upon contact). Velocity over 0.5 seconds before contact was determined using a 2-dimensional scaled version of the field generated from a computer alogorithm. Body masses of players were obtained from their player profiles. Momentum and kinetic energy were subsequently calculated for 60 tackle events. Ball-carriers were heavier than the tacklers (ball-carrier 100 ± 14 kg vs. tackler 93 ± 11 kg, d = 0.52, p = 0.0041, n = 60). Ball-carriers as forwards had a significantly higher momentum than backs (forwards 563 ± 226 Kg(.)m(.)s(-1) n = 31 vs. backs 438 ± 135 Kg(.)m(.)s(-1), d = 0.63, p = 0.0012, n = 29). Tacklers dominated 57% of tackles and ball-carriers dominated 43% of tackles. Despite the ball-carrier having a mass advantage before contact more frequently than the tackler, momentum advantage and tackle dominance between the ball-carrier and tackler was proportionally similar. These findings may reflect a characteristic of the modern game of rugby where efficiently heavier players (particularly forwards) are tactically predetermined to carry the ball in contact. Key PointsFirst study to quantify momentum, kinetic energy, and magnitude of impact in rugby tackles across different levels in matches without a device attached to a player.Physical components alone, of either ball
Momentum and Kinetic Energy Before the Tackle in Rugby Union
Hendricks, Sharief; Karpul, David; Lambert, Mike
2014-01-01
Understanding the physical demands of a tackle in match situations is important for safe and effective training, developing equipment and research. Physical components such as momentum and kinetic energy, and it relationship to tackle outcome is not known. The aim of this study was to compare momenta between ball-carrier and tackler, level of play (elite, university and junior) and position (forwards vs. backs), and describe the relationship between ball-carrier and tackler mass, velocity and momentum and the tackle outcome. Also, report on the ball-carrier and tackler kinetic energy before contact and the estimated magnitude of impact (energy distributed between ball-carrier and tackler upon contact). Velocity over 0.5 seconds before contact was determined using a 2-dimensional scaled version of the field generated from a computer alogorithm. Body masses of players were obtained from their player profiles. Momentum and kinetic energy were subsequently calculated for 60 tackle events. Ball-carriers were heavier than the tacklers (ball-carrier 100 ± 14 kg vs. tackler 93 ± 11 kg, d = 0.52, p = 0.0041, n = 60). Ball-carriers as forwards had a significantly higher momentum than backs (forwards 563 ± 226 Kg.m.s-1 n = 31 vs. backs 438 ± 135 Kg.m.s-1, d = 0.63, p = 0.0012, n = 29). Tacklers dominated 57% of tackles and ball-carriers dominated 43% of tackles. Despite the ball-carrier having a mass advantage before contact more frequently than the tackler, momentum advantage and tackle dominance between the ball-carrier and tackler was proportionally similar. These findings may reflect a characteristic of the modern game of rugby where efficiently heavier players (particularly forwards) are tactically predetermined to carry the ball in contact. Key Points First study to quantify momentum, kinetic energy, and magnitude of impact in rugby tackles across different levels in matches without a device attached to a player. Physical components alone, of either ball-carrier or
Lu, San; Lu, Quanming; Huang, Can; Wang, Shui
2013-06-15
By performing two-dimensional particle-in-cell simulations, we investigate the transfer between electron bulk kinetic and electron thermal energy in collisionless magnetic reconnection. In the vicinity of the X line, the electron bulk kinetic energy density is much larger than the electron thermal energy density. The evolution of the electron bulk kinetic energy is mainly determined by the work done by the electric field force and electron pressure gradient force. The work done by the electron gradient pressure force in the vicinity of the X line is changed to the electron enthalpy flux. In the magnetic island, the electron enthalpy flux is transferred to the electron thermal energy due to the compressibility of the plasma in the magnetic island. The compression of the plasma in the magnetic island is the consequence of the electromagnetic force acting on the plasma as the magnetic field lines release their tension after being reconnected. Therefore, we can observe that in the magnetic island the electron thermal energy density is much larger than the electron bulk kinetic energy density.
Mass yields and kinetic energy of fragments from fission of highly-excited nuclei with A≲220
NASA Astrophysics Data System (ADS)
Denisov, V. Yu.; Margitych, T. O.; Sedykh, I. Yu.
2017-02-01
It is shown that the potential energy surface of the two separated fragments has the saddle point, which takes place at small distance between the surfaces of well-deformed fragments. The height of this two-body saddle point is larger than the height of one-body fission barrier for nuclei with A ≲ 220. The mass yields of the fission fragments, which are appearing at the fission of nuclei with A ≲ 220, are related to the number of states of the two-fragment systems at the two-body saddle points. The characteristics of kinetic energy of fragments are described by using the trajectory motion equations with the dissipation terms. The Gaussian distribution of the final kinetic energy around the classical value of this energy induced by the stochastic fluctuations is taken into account at an evaluation of the total kinetic energy distributions of the fission fragments.
A Detailed Level Kinetics Model of NO Vibrational Energy Distributions
NASA Technical Reports Server (NTRS)
Sharma, Surendra P.; Gilmore, John; Cavolowsky, John A. (Technical Monitor)
1996-01-01
Several contemporary problems have pointed to the desirability of a detailed level kinetics approach to modeling the distribution of vibrational energy in NO. Such a model is necessary when vibrational redistribution reactions are insufficient to maintain a Boltzmann distribution over the vibrational energy states. Recent calculations of the rate constant for the first reaction of the Zeldovich mechanism (N2 + O (goes to) NO + N) have suggested that the product NO is formed in high vibrational states. In shock layer flowfields, the product NO molecules may experience an insufficient number of collisions to establish a Boltzmann distribution over vibrational states, thus necessitating a level kinetics model. In other flows, such as expansions of high temperature air, fast, near-resonance vibrational energy exchanges with N2 and O2 may also require a level specific model for NO because of the relative rates of vibrational exchange and redistribution. The proposed report will integrate computational and experimental components to construct such a model for the NO molecule.
Conversion of magnetic field energy into kinetic energy in the solar wind
NASA Technical Reports Server (NTRS)
Whang, Y. C.
1972-01-01
The outflow of the solar magnetic field energy (the radial component of the Poynting vector) per steradian is inversely proportional to the solar wind velocity. It is a decreasing function of the heliocentric distance. When the magnetic field effect is included in the one-fluid model of the solar wind, the transformation of magnetic field energy into kinetic energy during the expansion process increases the solar wind velocity at 1 AU by 17 percent.
Kinetic energy management in road traffic injury prevention: a call for action
Khorasani-Zavareh, Davoud; Bigdeli, Maryam; Saadat, Soheil; Mohammadi, Reza
2015-01-01
Abstract: By virtue of their variability, mass and speed have important roles in transferring energies during a crash incidence (kinetic energy). The sum of kinetic energy is important in determining an injury severity and that is equal to one half of the vehicle mass multiplied by the square of the vehicle speed. To meet the Vision Zero policy (a traffic safety policy) prevention activities should be focused on vehicle speed management. Understanding the role of kinetic energy will help to develop measures to reduce the generation, distribution, and effects of this energy during a road traffic crash. Road traffic injury preventive activities necessitate Kinetic energy management to improve road user safety. PMID:24284810
Spectral Kinetic Energy Transfer Through a Premixed Flame Brush
NASA Astrophysics Data System (ADS)
Towery, Colin A. Z.; Poludnenko, Alexei Y.; Hamlington, Peter E.
2014-11-01
Turbulence-flame interactions are of fundamental importance for understanding and modeling premixed turbulent reacting flows. These interactions can result in nonlinear feedback leading to large changes in both the turbulence and flame. Recent computational studies have indicated, however, that not all scales of turbulent motion are affected equally. Small-scale motions appear to be suppressed while larger-scale motions are unaffected or even enhanced. In order to determine the scale-dependence of turbulence-flame interactions, direct numerical simulations of statistically planar, premixed flames have been performed and analyzed. Two-dimensional kinetic energy spectra, conditioned on the planar-averaged fuel mass-fraction, are measured through the flame brush and compared to both compressible and incompressible non-reacting flow spectra. Changes in the spectra with respect to fuel mass-fraction are then connected to the dynamics of the kinetic energy spectrum transport equation. Particular focus is placed on understanding triadic velocity, pressure, and dilatation interactions, including the characterization of backscatter due to heat release and compressibility. Finally, the implications of these results for modeling practical premixed combustion problems are outlined.
The kinetic energy interceptor: Shooting a bullet with a bullet
1995-04-01
Although the Cold War has ended, the threat of proliferation with chemical, biological, and nuclear warheads continues. Two factors further increase the threat from these weapons of mass destruction: knowledge of missile technology has spread extensively, and, in recent years, many countries - some of them unfriendly to the US and its allies - have obtained short- and intermediate-range missiles. The threat posed by such missiles was amply demonstrated during the Gulf War. Thus, the need to protect US and allied forces from these weapons has never been greater. When nuclear-tipped defensive missiles, such as Sprint and Spartan, were phased out years ago, the US turned for its defense to kinetic-energy {open_quotes}kill{close_quotes} interceptors - missiles that destroy an enemy missile by striking it with lethal force and accuracy at some point in its trajectory. The Patriot missile is probably the best-known kinetic-energy (KE) interceptor in the US defensive arsenal. To counter the spreading threat of proliferation, LLNL and other laboratories have been participating in a joint program funded by the Ballistic Missile Defense Organization (BMDO), within the Department of Defense, to develop defensive missile systems. Participants are designing, testing, and certifying KE interceptors to defend against current and future missile threats. These research efforts are described.
When and how does a prominence-like jet gain kinetic energy?
Liu, Jiajia; Liu, Rui; Zhang, Quanhao; Liu, Kai; Shen, Chenglong; Wang, S.; Wang, Yuming
2014-02-20
A jet is a considerable amount of plasma being ejected from the chromosphere or lower corona into the higher corona and is a common phenomenon. Usually, a jet is triggered by a brightening or a flare, which provides the first driving force to push plasma upward. In this process, magnetic reconnection is thought to be the mechanism to convert magnetic energy into thermal, nonthermal, and kinetic energies. However, most jets could reach an unusual high altitude and end much later than the end of its associated flare. This fact implies that there is another way to continuously transfer magnetic energy into kinetic energy even after the reconnection. The picture described above is well known in the community, but how and how much magnetic energy is released through a way other than reconnection is still unclear. By studying a prominence-like jet observed by SDO/AIA and STEREO-A/EUVI, we find that the continuous relaxation of the post-reconnection magnetic field structure is an important process for a jet to climb up higher than it could through only reconnection. The kinetic energy of the jet gained through the relaxation is 1.6 times that gained from the reconnection. The resultant energy flux is hundreds of times larger than the flux required for the local coronal heating, suggesting that such jets are a possible source to keep the corona hot. Furthermore, rotational motions appear all the time during the jet. Our analysis suggests that torsional Alfvén waves induced during reconnection could not be the only mechanism to release magnetic energy and drive jets.
Kinetic Energy of Tornadoes in the United States.
Fricker, Tyler; Elsner, James B
2015-01-01
Tornadoes can cause catastrophic destruction. Here total kinetic energy (TKE) as a metric of destruction is computed from the fraction of the tornado path experiencing various damage levels and a characteristic wind speed for each level. The fraction of the path is obtained from a model developed for the Nuclear Regulatory Commission that combines theory with empirical data. TKE is validated as a useful metric by comparing it to other indexes and loss indicators. Half of all tornadoes have TKE exceeding 62.1 GJ and a quarter have TKE exceeding 383.2 GJ. One percent of the tornadoes have TKE exceeding 31.9 TJ. April has more energy than May with fewer tornadoes; March has more energy than June with half as many tornadoes. September has the least energy but November and December have the fewest tornadoes. Alabama ranks number one in terms of tornado energy with 2.48 PJ over the period 2007-2013. TKE can be used to help better understand the changing nature of tornado activity.
Kinetic Energy of Tornadoes in the United States
Fricker, Tyler; Elsner, James B.
2015-01-01
Tornadoes can cause catastrophic destruction. Here total kinetic energy (TKE) as a metric of destruction is computed from the fraction of the tornado path experiencing various damage levels and a characteristic wind speed for each level. The fraction of the path is obtained from a model developed for the Nuclear Regulatory Commission that combines theory with empirical data. TKE is validated as a useful metric by comparing it to other indexes and loss indicators. Half of all tornadoes have TKE exceeding 62.1 GJ and a quarter have TKE exceeding 383.2 GJ. One percent of the tornadoes have TKE exceeding 31.9 TJ. April has more energy than May with fewer tornadoes; March has more energy than June with half as many tornadoes. September has the least energy but November and December have the fewest tornadoes. Alabama ranks number one in terms of tornado energy with 2.48 PJ over the period 2007–2013. TKE can be used to help better understand the changing nature of tornado activity. PMID:26132830
NASA Astrophysics Data System (ADS)
Reitsma, G.; Zettergren, H.; Boschman, L.; Bodewits, E.; Hoekstra, R.; Schlathölter, T.
2013-12-01
We report on 30 keV He2 + collisions with naphthalene (C10H8) molecules, which leads to very extensive fragmentation. To unravel such complex fragmentation patterns, we designed and constructed an experimental setup, which allows for the determination of the full momentum vector by measuring charged collision products in coincidence in a recoil ion momentum spectrometer type of detection scheme. The determination of fragment kinetic energies is found to be considerably more accurate than for the case of mere coincidence time-of-flight spectrometers. In fission reactions involving two cationic fragments, typically kinetic energy releases of 2-3 eV are observed. The results are interpreted by means of density functional theory calculations of the reverse barriers. It is concluded that naphthalene fragmentation by collisions with keV ions clearly is much more violent than the corresponding photofragmentation with energetic photons. The ion-induced naphthalene fragmentation provides a feedstock of various small hydrocarbonic species of different charge states and kinetic energy, which could influence several molecule formation processes in the cold interstellar medium and facilitates growth of small hydrocarbon species on pre-existing polycyclic aromatic hydrocarbons.
ENERGY DISSIPATION IN MAGNETIC NULL POINTS AT KINETIC SCALES
Olshevsky, Vyacheslav; Lapenta, Giovanni; Divin, Andrey; Eriksson, Elin; Markidis, Stefano
2015-07-10
We use kinetic particle-in-cell and MHD simulations supported by an observational data set to investigate magnetic reconnection in clusters of null points in space plasma. The magnetic configuration under investigation is driven by fast adiabatic flux rope compression that dissipates almost half of the initial magnetic field energy. In this phase powerful currents are excited producing secondary instabilities, and the system is brought into a state of “intermittent turbulence” within a few ion gyro-periods. Reconnection events are distributed all over the simulation domain and energy dissipation is rather volume-filling. Numerous spiral null points interconnected via their spines form null lines embedded into magnetic flux ropes; null point pairs demonstrate the signatures of torsional spine reconnection. However, energy dissipation mainly happens in the shear layers formed by adjacent flux ropes with oppositely directed currents. In these regions radial null pairs are spontaneously emerging and vanishing, associated with electron streams and small-scale current sheets. The number of spiral nulls in the simulation outweighs the number of radial nulls by a factor of 5–10, in accordance with Cluster observations in the Earth's magnetosheath. Twisted magnetic fields with embedded spiral null points might indicate the regions of major energy dissipation for future space missions such as the Magnetospheric Multiscale Mission.
Statistical rate theory and kinetic energy-resolved ion chemistry: theory and applications.
Armentrout, P B; Ervin, Kent M; Rodgers, M T
2008-10-16
Ion chemistry, first discovered 100 years ago, has profitably been coupled with statistical rate theories, developed about 80 years ago and refined since. In this overview, the application of statistical rate theory to the analysis of kinetic-energy-dependent collision-induced dissociation (CID) reactions is reviewed. This procedure accounts for and quantifies the kinetic shifts that are observed as systems increase in size. The statistical approach developed allows straightforward extension to systems undergoing competitive or sequential dissociations. Such methods can also be applied to the reverse of the CID process, association reactions, as well as to quantitative analysis of ligand exchange processes. Examples of each of these types of reactions are provided and the literature surveyed for successful applications of this statistical approach to provide quantitative thermochemical information. Such applications include metal-ligand complexes, metal clusters, proton-bound complexes, organic intermediates, biological systems, saturated organometallic complexes, and hydrated and solvated species.
NASA Technical Reports Server (NTRS)
Dare, P. M.; Smith, P. J.
1983-01-01
The eddy kinetic energy budget is calculated for a 48-hour forecast of an intense occluding winter cyclone associated with a strong well-developed jet stream. The model output consists of the initialized (1200 GMT January 9, 1975) and the 12, 24, 36, and 48 hour forecast fields from the Drexel/NCAR Limited Area Mesoscale Prediction System (LAMPS) model. The LAMPS forecast compares well with observations for the first 24 hours, but then overdevelops the low-level cyclone while inadequately developing the upper-air wave and jet. Eddy kinetic energy was found to be concentrated in the upper-troposphere with maxima flanking the primary trough. The increases in kinetic energy were found to be due to an excess of the primary source term of kinetic energy content, which is the horizontal flux of eddy kinetic energy over the primary sinks, and the generation and dissipation of eddy kinetic energy.
Computation Molecular Kinetics Model of HZE Induced Cell Cycle Arrest
NASA Technical Reports Server (NTRS)
Cucinotta, Francis A.; Ren, Lei
2004-01-01
Cell culture models play an important role in understanding the biological effectiveness of space radiation. High energy and charge (HZE) ions produce prolonged cell cycle arrests at the G1/S and G2/M transition points in the cell cycle. A detailed description of these phenomena is needed to integrate knowledge of the expression of DNA damage in surviving cells, including the determination of relative effectiveness factors between different types of radiation that produce differential types of DNA damage and arrest durations. We have developed a hierarchical kinetics model that tracks the distribution of cells in various cell phase compartments (early G1, late G1, S, G2, and M), however with transition rates that are controlled by rate-limiting steps in the kinetics of cyclin-cdk's interactions with their families of transcription factors and inhibitor molecules. The coupling of damaged DNA molecules to the downstream cyclin-cdk inhibitors is achieved through a description of the DNA-PK and ATM signaling pathways. For HZE irradiations we describe preliminary results, which introduce simulation of the stochastic nature of the number of direct particle traversals per cell in the modulation of cyclin-cdk and cell cycle population kinetics. Comparison of the model to data for fibroblast cells irradiated photons or HZE ions are described.
Mass independent kinetic energy reducing inlet system for vacuum environment
Reilly, Peter T. A. [Knoxville, TN
2010-12-14
A particle inlet system comprises a first chamber having a limiting orifice for an incoming gas stream and a micrometer controlled expansion slit. Lateral components of the momentum of the particles are substantially cancelled due to symmetry of the configuration once the laminar flow converges at the expansion slit. The particles and flow into a second chamber, which is maintained at a lower pressure than the first chamber, and then moves into a third chamber including multipole guides for electromagnetically confining the particle. The vertical momentum of the particles descending through the center of the third chamber is minimized as an upward stream of gases reduces the downward momentum of the particles. The translational kinetic energy of the particles is near-zero irrespective of the mass of the particles at an exit opening of the third chamber, which may be advantageously employed to provide enhanced mass resolution in mass spectrometry.
Mass independent kinetic energy reducing inlet system for vacuum environment
Reilly, Peter T.A.
2014-05-13
A particle inlet system comprises a first chamber having a limiting orifice for an incoming gas stream and a micrometer controlled expansion slit. Lateral components of the momentum of the particles are substantially cancelled due to symmetry of the configuration once the laminar flow converges at the expansion slit. The particles and flow into a second chamber, which is maintained at a lower pressure than the first chamber, and then moves into a third chamber including multipole guides for electromagnetically confining the particle. The vertical momentum of the particles descending through the center of the third chamber is minimized as an upward stream of gases reduces the downward momentum of the particles. The translational kinetic energy of the particles is near-zero irrespective of the mass of the particles at an exit opening of the third chamber, which may be advantageously employed to provide enhanced mass resolution in mass spectrometry.
Mass independent kinetic energy reducing inlet system for vacuum environment
Reilly, Peter T.A.
2013-12-03
A particle inlet system comprises a first chamber having a limiting orifice for an incoming gas stream and a micrometer controlled expansion slit. Lateral components of the momentum of the particles are substantially cancelled due to symmetry of the configuration once the laminar flow converges at the expansion slit. The particles and flow into a second chamber, which is maintained at a lower pressure than the first chamber, and then moves into a third chamber including multipole guides for electromagnetically confining the particle. The vertical momentum of the particles descending through the center of the third chamber is minimized as an upward stream of gases reduces the downward momentum of the particles. The translational kinetic energy of the particles is near-zero irrespective of the mass of the particles at an exit opening of the third chamber, which may be advantageously employed to provide enhanced mass resolution in mass spectrometry.
An integral turbulent kinetic energy analysis of free shear flows
NASA Technical Reports Server (NTRS)
Peters, C. E.; Phares, W. J.
1973-01-01
Mixing of coaxial streams is analyzed by application of integral techniques. An integrated turbulent kinetic energy (TKE) equation is solved simultaneously with the integral equations for the mean flow. Normalized TKE profile shapes are obtained from incompressible jet and shear layer experiments and are assumed to be applicable to all free turbulent flows. The shear stress at the midpoint of the mixing zone is assumed to be directly proportional to the local TKE, and dissipation is treated with a generalization of the model developed for isotropic turbulence. Although the analysis was developed for ducted flows, constant-pressure flows were approximated with the duct much larger than the jet. The axisymmetric flows under consideration were predicted with reasonable accuracy. Fairly good results were also obtained for the fully developed two-dimensional shear layers, which were computed as thin layers at the boundary of a large circular jet.
Utilization of rotor kinetic energy storage for hybrid vehicles
Hsu, John S.
2011-05-03
A power system for a motor vehicle having an internal combustion engine, the power system comprises an electric machine (12) further comprising a first excitation source (47), a permanent magnet rotor (28) and a magnetic coupling rotor (26) spaced from the permanent magnet rotor and at least one second excitation source (43), the magnetic coupling rotor (26) also including a flywheel having an inertial mass to store kinetic energy during an initial acceleration to an operating speed; and wherein the first excitation source is electrically connected to the second excitation source for power cycling such that the flywheel rotor (26) exerts torque on the permanent magnet rotor (28) to assist braking and acceleration of the permanent magnet rotor (28) and consequently, the vehicle. An axial gap machine and a radial gap machine are disclosed and methods of the invention are also disclosed.
Experimental evidence of the decrease of kinetic energy of hadrons in passing through atomic nuclei
NASA Technical Reports Server (NTRS)
Strugalski, Z.
1985-01-01
Hadrons with kinetic energies higher than the pion production threshold lose their kinetic energies monotonically in traversing atomic nuclei, due to the strong interactions in nuclear matter. This phenomenon is a crude analogy to the energy loss of charged particles in their passage through materials. Experimental evidence is presented.
Energy scavenging strain absorber: application to kinetic dielectric elastomer generator
NASA Astrophysics Data System (ADS)
Jean-Mistral, C.; Beaune, M.; Vu-Cong, T.; Sylvestre, A.
2014-03-01
Dielectric elastomer generators (DEGs) are light, compliant, silent energy scavengers. They can easily be incorporated into clothing where they could scavenge energy from the human kinetic movements for biomedical applications. Nevertheless, scavengers based on dielectric elastomers are soft electrostatic generators requiring a high voltage source to polarize them and high external strain, which constitutes the two major disadvantages of these transducers. We propose here a complete structure made up of a strain absorber, a DEG and a simple electronic power circuit. This new structure looks like a patch, can be attached on human's wear and located on the chest, knee, elbow… Our original strain absorber, inspired from a sailing boat winch, is able to heighten the external available strain with a minimal factor of 2. The DEG is made of silicone Danfoss Polypower and it has a total area of 6cm per 2.5cm sustaining a maximal strain of 50% at 1Hz. A complete electromechanical analytical model was developed for the DEG associated to this strain absorber. With a poling voltage of 800V, a scavenged energy of 0.57mJ per cycle is achieved with our complete structure. The performance of the DEG can further be improved by enhancing the imposed strain, by designing a stack structure, by using a dielectric elastomer with high dielectric permittivity.
Rapid laser induced energy transfer in atomic systems
NASA Technical Reports Server (NTRS)
Harris, S. E.; Young, J. F.
1978-01-01
Analytical and experimental studies of the rapid transfer of stored populations from metastable states to selected target states of a different species are reported. Both laser-induced or laser-switched collision and laser-induced two-photon spontaneous emission are described. It is shown that the laser-induced collision method is particularly useful in the visible and UV spectral regions. It has applications in photochemistry, gas-phase kinetics, and in high-power, high-energy gas-phase lasers. The anti-Stokes source is useful in the VUV and soft X-ray spectral regions.
Detailed Kinetic Modeling of Processes Relevant To Fusion Energy
NASA Astrophysics Data System (ADS)
Mehl, Marco; Armstrong, Michael; Zaug, Joseph; Crowhurst, Jonathan; Radousky, Harry; Stavrou, Elissaios
2016-10-01
Carbon based materials have been proposed as candidates for the fabrication of plasma-facing components in the design of fusion energy devices. Although these components are not supposed to be in direct contact with the core fusion plasma, plasma instabilities and the harsh environment they are exposed to can cause the degradation of plasma-exposed components and the transfer of contaminants into the plasma followed by deposition of byproducts. In order to investigate the chemistry involved in these processes and to assist the development of models suitable to understand the long term consequences of the carbon ablation/deposition cycle, an inductively coupled plasma flow reactor (ICPFR) has been developed. The ICPFR allows the atomization of carbon containing precursors to high temperatures (in the order of 10000K) and the characterization of the gas and solid species formed downsteam from the plasma source through spectroscopic techniques. In parallel to the experimental analysis a comprehensive set of fluid dynamic and detailed kinetic simulations are used to analyze the data. The combination of these two approaches resulted in a validated and comprehensive chemical model for the formation of carbon deposits in carbon contaminated cooling plasmas. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.
Accurate spectral numerical schemes for kinetic equations with energy diffusion
NASA Astrophysics Data System (ADS)
Wilkening, Jon; Cerfon, Antoine J.; Landreman, Matt
2015-08-01
We examine the merits of using a family of polynomials that are orthogonal with respect to a non-classical weight function to discretize the speed variable in continuum kinetic calculations. We consider a model one-dimensional partial differential equation describing energy diffusion in velocity space due to Fokker-Planck collisions. This relatively simple case allows us to compare the results of the projected dynamics with an expensive but highly accurate spectral transform approach. It also allows us to integrate in time exactly, and to focus entirely on the effectiveness of the discretization of the speed variable. We show that for a fixed number of modes or grid points, the non-classical polynomials can be many orders of magnitude more accurate than classical Hermite polynomials or finite-difference solvers for kinetic equations in plasma physics. We provide a detailed analysis of the difference in behavior and accuracy of the two families of polynomials. For the non-classical polynomials, if the initial condition is not smooth at the origin when interpreted as a three-dimensional radial function, the exact solution leaves the polynomial subspace for a time, but returns (up to roundoff accuracy) to the same point evolved to by the projected dynamics in that time. By contrast, using classical polynomials, the exact solution differs significantly from the projected dynamics solution when it returns to the subspace. We also explore the connection between eigenfunctions of the projected evolution operator and (non-normalizable) eigenfunctions of the full evolution operator, as well as the effect of truncating the computational domain.
Estimates of meteoroid kinetic energies from observations of infrasonic airwaves
NASA Astrophysics Data System (ADS)
Edwards, Wayne N.; Brown, Peter G.; Revelle, Douglas O.
2006-06-01
Signal properties of the acoustic waves produced from meteoroids impacting the Earth's atmosphere in the approximate size range of 0.1 10 m diameter have been analyzed at infrasonic frequencies. From these data, we have produced a series of empirical relations between the far-field acoustic signature of the bolide shocks and meteor source energies by correlating infrasonic observations of those fireballs which are also detected by earth-observing satellites. Adopting a similar approach as has been previously employed for man-made explosives, signal properties such as acoustic amplitude, signal energy/power and signal-to-noise ratio, are shown, after high-altitude wind corrections, to be useful tools in estimating the kinetic energy of a bolide. Comparison of bolide infrasound data to ground-based explosive tests show that the acoustic amplitudes from airwaves generated by small bolide events (<7 kt TNT equivalent) attenuate more rapidly than nuclear or chemical explosions. As well, acoustic amplitude values for bolides are systematically lower than acoustic amplitudes measured for equivalent ground-based explosions. This is interpreted to be largely due to bolide acoustic sources being at high altitudes in the atmosphere. We find from our analysis that these heights are on average located between 20 and 30 km. Larger events (>7 kt) mimic man-made explosions in terms of range dependence, but offset in amplitude equivalent to ˜20 km source altitudes. This is consistent with instrumental observations of fireballs and the expectation that larger meteoroids (greater than a few meters in diameter), should penetrate deeper into the atmosphere on average. Applying these new relationships to historical events, we find that the August 3, 1963 bolide detected infrasonically near the Prince Edward Islands off the coast of South Africa, previously estimated to have an energy of 1100 kt, may have had a much smaller energy of 266±90 kt. This energy revision brings the
Lee, Joe; Graves, David B.; Kazi, Haseeb; Gaddam, Sneha; Kelber, Jeffry A.
2013-07-15
In-situ x-ray photoelectron spectroscopy (XPS) and ex-situ Fourier transform infrared studies of He plasma and Ar{sup +} ion bombardment pretreatments of organosilicate glass demonstrate that such pretreatments inhibit subsequent O{sub 2} plasma-induced carbon loss by forming a SiO{sub 2}-like damaged overlayer, and that the degree of protection correlates directly with increased ion kinetic energies, but not with the thickness of the SiO{sub 2} overlayer. This thickness is observed by XPS to be roughly constant and <1 nm regardless of ion energies involved. The data indicate that ion kinetic energies are an important parameter in protective noble gas plasma pretreatments to inhibit O{sub 2} plasma-induced carbon loss.
RNA folding pathways and kinetics using 2D energy landscapes.
Senter, Evan; Dotu, Ivan; Clote, Peter
2015-01-01
RNA folding pathways play an important role in various biological processes, such as (i) the hok/sok (host-killing/suppression of killing) system in E. coli to check for sufficient plasmid copy number, (ii) the conformational switch in spliced leader (SL) RNA from Leptomonas collosoma, which controls trans splicing of a portion of the '5 exon, and (iii) riboswitches--portions of the 5' untranslated region of messenger RNA that regulate genes by allostery. Since RNA folding pathways are determined by the energy landscape, we describe a novel algorithm, FFTbor2D, which computes the 2D projection of the energy landscape for a given RNA sequence. Given two metastable secondary structures A, B for a given RNA sequence, FFTbor2D computes the Boltzmann probability p(x, y) = Z(x,y)/Z that a secondary structure has base pair distance x from A and distance y from B. Using polynomial interpolationwith the fast Fourier transform,we compute p(x, y) in O(n(5)) time and O(n(2)) space, which is an improvement over an earlier method, which runs in O(n(7)) time and O(n(4)) space. FFTbor2D has potential applications in synthetic biology, where one might wish to design bistable switches having target metastable structures A, B with favorable pathway kinetics. By inverting the transition probability matrix determined from FFTbor2D output, we show that L. collosoma spliced leader RNA has larger mean first passage time from A to B on the 2D energy landscape, than 97.145% of 20,000 sequences, each having metastable structures A, B. Source code and binaries are freely available for download at http://bioinformatics.bc.edu/clotelab/FFTbor2D. The program FFTbor2D is implemented in C++, with optional OpenMP parallelization primitives.
Shear flow-induced detachment kinetics of Dictyostelium discoideum cells from solid substrate.
Décavé, Emmanuel; Garrivier, Daniel; Bréchet, Yves; Fourcade, Bertrand; Bruckert, Franz
2002-01-01
Using Dictyostelium discoideum as a model organism of specific and nonspecific adhesion, we studied the kinetics of shear flow-induced cell detachment. For a given cell, detachment occurs for values of the applied hydrodynamic stress above a threshold. Cells are removed from the substrate with an apparent first-order rate constant that strongly depends on the applied stress. The threshold stress depends on cell size and physicochemical properties of the substrate, but is not affected by depolymerization of the actin and tubulin cytoskeleton. In contrast, the kinetics of cell detachment is almost independent of cell size, but is strongly affected by a modification of the substrate and the presence of an intact actin cytoskeleton. These results are interpreted in the framework of a peeling model. The threshold stress and the cell-detachment rate measure the local equilibrium energy and the dissociation rate constant of the adhesion bridges, respectively. PMID:11964228
UV-induced reaction kinetics of dilinoleoylphosphatidylethanolamine monolayers.
Viitala, T; Peltonen, J
1999-01-01
The UV-induced reactivity of dilinoleoylphosphatidylethanolamine (DLiPE) Langmuir and Langmuir-Blodgett films has been studied by in situ measurements of the changes in the mean molecular area, UV-vis and Fourier transform infrared spectroscopy, and atomic force microscopy (AFM). Optimum orientation and packing density of the DLiPE molecules in the monolayer were achieved by adding uranyl acetate to the subphase. A first-order reaction kinetic model was successfully fitted to the experimental reaction kinetics data obtained at a surface pressure of 30 mN/m. Topographical studies of LB films by AFM were performed on bilayer structures as a function of subphase composition and UV irradiation time. The orientational effect of the uranyl ions on the monolayer molecules was observed as an enhanced homogeneity of the freshly prepared monomeric LB films. However, the long-term stability of these films proved to be bad; clear reorganization and loss of a true monolayer structure were evidenced by the AFM images. This instability was inhibited for the UV-irradiated films, indicating that the UV irradiation gave rise to a cross-linked structure. PMID:10233096
Kinetics of motility-induced phase separation and swim pressure
NASA Astrophysics Data System (ADS)
Patch, Adam; Yllanes, David; Marchetti, M. Cristina
2017-01-01
Active Brownian particles (ABPs) represent a minimal model of active matter consisting of self-propelled spheres with purely repulsive interactions and rotational noise. Here we examine the pressure of ABPs in two dimensions in both closed boxes and systems with periodic boundary conditions and show that its nonmonotonic behavior with density is a general property of ABPs and is not the result of finite-size effects. We correlate the time evolution of the mean pressure towards its steady-state value with the kinetics of motility-induced phase separation. For parameter values corresponding to phase-separated steady states, we identify two dynamical regimes. The pressure grows monotonically in time during the initial regime of rapid cluster formation, overshooting its steady-state value and then quickly relaxing to it, and remains constant during the subsequent slower period of cluster coalescence and coarsening. The overshoot is a distinctive feature of active systems.
A Comparison of Kinetic Energy and Momentum in Special Relativity and Classical Mechanics
ERIC Educational Resources Information Center
Riggs, Peter J.
2016-01-01
Kinetic energy and momentum are indispensable dynamical quantities in both the special theory of relativity and in classical mechanics. Although momentum and kinetic energy are central to understanding dynamics, the differences between their relativistic and classical notions have not always received adequate treatment in undergraduate teaching.…
The Rainfall and Rainfall Kinetic Energy Intensity-Duration of Landslides and Debris flow in Taiwan
NASA Astrophysics Data System (ADS)
Chang, Jui-Ming; Chen, Hongey
2016-04-01
This research used Joss-Waldvogel Disdrometers (JWD) which set in Shiment catchment, Northern Taiwan and Chishan catchment, Southern Taiwan to record rainfall kinetic energy data, to find the relationship between rainfall kinetic energy and rainfall intensity in these two areas. The distance between the two areas is less than 150 km. These data help the researchers and showed that the equations of relationship were ekN =28.7* (1-0.7027*exp(-0.0395*I)) and ekS=27.4*(1-0.5954*exp(-0.0345*I)). Generally, rainfall kinetic energy in Northern Taiwan is higher than in Southern Taiwan during rainfall period. Also, the occurring time and rainfall records of 143 landslide events from 2006 to 2012 were analyzed. The rainfall-intensity (I-D) relationship could be used to build rainfall threshold which were IN=15.13 D-0.28 and IS=47.58 D-0.35. In brief, the rainfall feature in landslide of Northern Taiwan had low rainfall intensity, long rainfall duration and low average accumulative rainfall. By combining rainfall kinetic energy and rainfall threshold, rainfall kinetic energy threshold could be established, which were ¯E N=13.83 D-0.04 and ¯E S =15.59 D-0.02. The results showed that not only for rainfall but also for rainfall kinetic energy threshold, the values of thresholds in North were lower than those in South. Due to impaction energy of rainfall to ground surface, rainfall kinetic energy would not forever increase. Therefore, rainfall kinetic energy threshold is also a useful tool for landslide warning. Key words: Rainfall kinetic energy, Rainfall threshold, Rainfall kinetic energy threshold, Landslide
Numerical investigation of kinetic energy dynamics during autoignition of n-heptane/air mixture
NASA Astrophysics Data System (ADS)
Lucena Kreppel Paes, Paulo; Brasseur, James; Xuan, Yuan
2015-11-01
Many engineering applications involve complex turbulent reacting flows, where nonlinear, multi-scale turbulence-combustion couplings are important. Direct representation of turbulent reacting flow dynamics is associated with prohibitive computational costs, which makes it necessary to employ turbulent combustion models to account for the effects of unresolved scales on resolved scales. Classical turbulence models are extensively employed in reacting flow simulations. However, they rely on assumptions about the energy cascade, which are valid for incompressible, isothermal homogeneous isotropic turbulence. A better understanding of the turbulence-combustion interactions is required for the development of more accurate, physics-based sub-grid-scale models for turbulent reacting flows. In order to investigate the effects of reaction-induced density, viscosity, and pressure variations on the turbulent kinetic energy, Direct Numerical Simulation (DNS) of autoignition of partially-premixed, lean n-heptane/air mixture in three-dimensional homogeneous isotropic turbulence has been performed. This configuration represents standard operating conditions of Homogeneous-Charge Compression-Ignition (HCCI) engines. The differences in the turbulent kinetic energy balance between the present turbulent reacting flow and incompressible, isothermal homogeneous isotropic turbulence are highlighted at different stages during the autoignition process.
Vertical kinetic energy and turbulent dissipation in the ocean
NASA Astrophysics Data System (ADS)
Thurnherr, A. M.; Kunze, E.; Toole, J. M.; St. Laurent, L.; Richards, K. J.; Ruiz-Angulo, A.
2015-09-01
Oceanic internal waves are closely linked to turbulence. Here a relationship between vertical wave number (kz) spectra of fine-scale vertical kinetic energy (VKE) and turbulent dissipation ɛ is presented using more than 250 joint profiles from five diverse dynamic regimes, spanning latitudes between the equator and 60°. In the majority of the spectra VKE varies as kz-2. Scaling VKE with √ɛ collapses the off-equatorial spectra to within √2 but underestimates the equatorial spectrum. The simple empirical relationship between VKE and ɛ fits the data better than a common shear-and-strain fine-scale parameterization, which significantly underestimates ɛ in the two data sets that are least consistent with the Garrett-Munk (GM) model. The new relationship between fine-scale VKE and dissipation rate can be interpreted as an alternative, single-parameter scaling for turbulent dissipation in terms of fine-scale internal wave vertical velocity that requires no reference to the GM model spectrum.
NonBoussinesq effects on vorticity and kinetic energy production
NASA Astrophysics Data System (ADS)
Ravichandran, S.; Dixit, Harish; Govindarajan, Rama
2015-11-01
The Boussinesq approximation, commonly employed in weakly compressible or incompressible flows, neglects changes in inertia due to changes in the density. However, the nonBoussinesq terms can lead to a kind of centrifugal instability for small but sharp density variations, and therefore cannot be neglected under such circumstances (see, e.g.,
NASA Astrophysics Data System (ADS)
Montoya, M.; Rojas, J.; Lobato, I.
2008-12-01
The kinetic energy distribution as a function of mass of final fragments (m) from low energy fission of $^{234}U$, measured with the Lohengrin spectrometer by Belhafaf et al. presents a peak around m=108 and another around m = 122. The authors attribute the first peak to the evaporation of a large number of neutrons around the corresponding mass number; and the second peak to the distribution of the primary fragment kinetic energy. Nevertheless, the theoretical calculations related to primary distribution made by Faust et al. do not result in a peak around m = 122. In order to clarify this apparent controversy, we have made a numerical experiment in which the masses and the kinetic energy of final fragments are calculated, assuming an initial distribution of the kinetic energy without peaks on the standard deviation as function of fragment mass. As a result we obtain a pronounced peak on the standard deviation of the kinetic energy distribution around m = 109, a depletion from m = 121 to m = 129, and an small peak around m = 122, which is not as big as the measured by Belhafaf et al. Our simulation also reproduces the experimental results on the yield of the final mass, the average number of emitted neutrons as a function of the provisional mass (calculated from the values of the final kinetic energy of the complementary fragments) and the average value of fragment kinetic energy as a function of the final mass.
From the Kinetic Energy Recovery System to the Thermo-Hydraulic Hybrid Motor Vehicle
NASA Astrophysics Data System (ADS)
Cristescu, Corneliu; Drumea, Petrin; Guta, Dragos; Dumitrescu, Catalin
2011-12-01
The paper presents some theoretical and experimental results obtained by the Hydraulics and Pneumatics Research Institute INOE 2000-IHP with its partners, regarding the creating of one hydraulic system able to recovering the kinetic energy of the motor vehicles, in the braking phases, and use this recovered energy in the starting and accelerating phases. Also, in the article is presented a testing stand, which was especially designed for testing the hydraulic system for recovery the kinetic energy. Through mounting of the kinetic energy recovering hydraulic system, on one motor vehicle, this vehicle became a thermo-hydraulic hybrid vehicle. Therefore, the dynamic behavior was analyzed for the whole hybrid motor vehicle, which includes the energy recovery system. The theoretical and experimental results demonstrate the possible performances of the hybrid vehicle and that the kinetic energy recovery hydraulic systems are good means to increase energy efficiency of the road motor vehicles and to decrease of the fuel consumption.
When and How Does A Prominence-like Jet Gain Kinetic Energy?
NASA Astrophysics Data System (ADS)
Liu, J.; Wang, Y.; Zhang, Q.; Liu, K.; Shen, C.
2013-12-01
Usually a jet is triggered by a brightening or flare, which provides the first driving force. In this process, magnetic reconnection is thought to be the mechanism to convert magnetic energy into jet's kinetic energy. However, most jets could reach an unusual height and end far after the end of its associated flare. This fact implies another way continuously transferring magnetic energy into kinetic energy after the reconnection. This picture is well known, but how and how much magnetic energy is released through the way other than the reconnection is still unclear. Here, through studying a prominence-like jet observed by AIA and EUVI, we reveal the continuously relaxation of post-reconnection magnetic field structure is an important process to support a jet. The kinetic energy of the jet gained through this way is 1.6 times of that from the reconnection. The resultant energy flux is hundreds of the required for local coronal heating, suggesting such jets are a possible source to keep corona hot. Rotational motion appearing all the time during the jet implies the torsional Alfven wave induced during reconnection is not the only mechanism to release magnetic energy and drive jets. Left column: Difference images taken by SDO/AIA at 304A passband. The FOV of the images is 430"x430". Right column: Difference images from STEREO-A/EUVI at the same passband. The FOV is 450"x450". Since STEREO-A was 120 degree apart away from SDO on 2012 July 8, the SDO limb event right happened ondisk in the view of STEREO-A. Black and red solid curve: integrated intensity over the cross-section of the jet at different height at 19:11 UT and 19:47 UT, respectively. The two horizontal dashed lines are their average values. Black and red dashed curve with asterisks: axial speed with errors of the eight sub-jets shown in Figure 3 at 19:11 UT and 19:47 UT , respectively. Blue dashed curve with diamonds: angular speed with errors of the jet at different height.
Kinetics of pulse-induced photoluminescence from a semiconductor quantum dot.
Rukhlenko, Ivan D; Leonov, Mikhail Yu; Turkov, Vadim K; Litvin, Aleksandr P; Baimuratov, Anvar S; Baranov, Alexander V; Fedorov, Anatoly V
2012-12-03
Optical methods, which allow the determination of the dominant channels of energy and phase relaxation, are the most universal techniques for the investigation of semiconductor quantum dots. In this paper, we employ the kinetic Pauli equation to develop the first generalized model of the pulse-induced photoluminescence from the lowest-energy eigenstates of a semiconductor quantum dot. Without specifying the shape of the excitation pulse and by assuming that the energy and phase relaxation in the quantum dot may be characterized by a set of phenomenological rates, we derive an expression for the observable photoluminescence cross section, valid for an arbitrary number of the quantum dot's states decaying with the emission of secondary photons. Our treatment allows for thermal transitions occurring with both decrease and increase in energy between all the relevant eigenstates at room or higher temperature. We show that in the general case of N states coupled to each other through a bath, the photoluminescence kinetics from any of them is determined by the sum of N exponential functions, whose exponents are proportional to the respective decay rates. We illustrate the application of the developed model by considering the processes of resonant luminescence and thermalized luminescence from the quantum dot with two radiating eigenstates, and by assuming that the secondary emission is excited with either a Gaussian or exponential pulse. Analytic expressions describing the signals of secondary emission are analyzed, in order to elucidate experimental situations in which the relaxation constants may be reliably extracted from the photoluminescence spectra.
Platelet-activating factor-induced increases in glucose kinetics
Lang, C.H.; Dobrescu, C.; Hargrove, D.M.; Bagby, G.J.; Spitzer, J.J. )
1988-02-01
Platelet-activating factor (PAF) is a postulated mediator of many of the early hemodynamic effects of endotoxin. The aim of the present study was to determine whether in vivo administration of PAF could produce alterations in whole-body glucose metabolism that would mimic those seen during endotoxemia. Glucose kinetics were assessed in chronically catheterized conscious rats by the constant infusion of (6-{sup 3}H)- and (U-{sup 14}C)glucose before and for 4 h after either a bolus injection or a constant infusion of PAF. The bolus injection of PAF elevated the rate of glucose appearance (R{sub a}; 44%) for 1.5 h. The lower PAF infusion rate decreased blood pressure 11% to 104 mmHg, whereas the higher infusion rate decreased pressure 34% to 77 mmHg. Both PAF infusion rates produced elevations in plasma glucose and glucose R{sub a} throughout the 4-h infusion period in a dose-related manner. The PAF infusions also induced dose-related increases in plasma glucagon and catecholamine levels throughout the infusion period. Because the constant infusion of PAF did stimulate many of the hemodynamic and metabolic alterations produced by endotoxin, this study provides additional support for the potential importance of PAF as a mediator of the early hemodynamic and metabolic sequela of endotoxin shock. Furthermore, the PAF-induced changes in glucose metabolism appear to be mediated by the resultant elevation in plasma catecholamines.
Laskin, Julia; Futrell, Jean H.
2015-02-01
We introduce a new approach for studying the kinetics of large ion fragmentation in the gas phase by coupling surface-induced dissociation (SID) in a Fourier transform ion cyclotron resonance mass spectrometer with resonant ejection of selected fragment ions using a relatively short (5 ms) ejection pulse. The approach is demonstrated for singly protonated angiotensin III ions excited by collisions with a self-assembled monolayer of alkylthiol on gold (HSAM). The overall decomposition rate and rate constants of individual reaction channels are controlled by varying the kinetic energy of the precursor ion in a range of 65–95 eV. The kinetics of peptide fragmentation are probed by varying the delay time between resonant ejection and fragment ion detection at a constant total reaction time. RRKM modeling indicates that the shape of the kinetics plots is strongly affected by the shape and position of the energy deposition function (EDF) describing the internal energy distribution of the ion following ion-surface collision. Modeling of the kinetics data provides detailed information on the shape of the EDF and energy and entropy effects of individual reaction channels.
Rainfall kinetic energy-intensity and rainfall momentum-intensity relationships for Cape Verde
NASA Astrophysics Data System (ADS)
Sanchez-Moreno, Juan Francisco; Mannaerts, Chris M.; Jetten, Victor; Löffler-Mang, Martin
2012-08-01
Momentum and kinetic energy of rainfall are widely used indices to describe erosivity, the ability of rainfall to detach soil particles and erode the landscape. An optical laser disdrometer was installed in Santiago Island, Cape Verde, between September 2008 and September 2010 to measure rainfall intensity and size distribution of raindrops. A total time series of 5129 observations of radar reflectivity, visibility, rainfall intensity and number of particles were gathered. Rainfall kinetic energy expenditure KEtime (J m-2 h-1), kinetic energy content KEmm (J m-2 mm-1) and momentum flux MtA (kg m s-1 m-2 s-1) were calculated and fitted to different known experimental equations. The best fit between rainfall intensity and kinetic energy expenditure, kinetic energy content and momentum were obtained with power-law equations. These equations were validated in two independent events corresponding to 2008 and 2009, producing high correlation coefficients. The results show that for Cape Verde, KEtime is a more appropriate index to relate with rainfall intensity, and that kinetic energy expenditure and momentum flux are interchangeable parameters for erosivity estimation. New relationships relating kinetic energy and rainfall intensity, and momentum and rainfall intensity were derived, which contribute to the characterization of rainfall originating from tropical depressions at lower latitudes.
Spectral study of wintertime kinetic energy of the Northern Hemisphere in the troposphere
NASA Technical Reports Server (NTRS)
Lee, H. N.; Zhao, Z.; Kao, S. K.
1983-01-01
Characteristics of the kinetic energy of wind fields at various pressure levels were analyzed, and significant wavenumbers in the wavenumber-frequency domain were identified. The nonlinear interaction terms of the kinetic energy equation were examined, and the distribution of the kinetic energy at the 850 mb, 500 mb, and 200 mb levels was calculated. A 5 deg latitude-longitude square grid was used, with NMC data for the 1975-1976 winter in the 20-60 deg N at 500 mb and 20-85 deg N for the 200 mb and 850 mb levels. The kinetic energy distribution was determined to be geography-dependent, with wavenumbers 6-9 westerly waves in the midfrequency range contributing significantly to kinetic energy maxima over the North Pacific and the east coast of North America. The contribution of the nonlinear interactions of these waves, which correspond to the longitudinal convergence of the kinetic energy flux, was found to be larger than the meridional convergence of the kinetic energy flux, and to occur mainly between 30-50 deg N. The nonlinear interactions were a negative contribution over the North Pacific at the 200 mb level.
NASA Astrophysics Data System (ADS)
Mamedov, Bahtiyar Akber; Copuroglu, Ebru
2017-02-01
By using the Löwdin-α function method, we have analytically calculated the two-center kinetic energy integrals over Slater type orbitals (STOs). The two-center kinetic energy integrals are presented in terms of the two-center overlap integrals. A new approach is applicable to accurate calculations of two-center kinetic energy integral over STOs for arbitrary values of scaling parameters and interatomic distances. Obtained results show that the proposed method is easy to apply to the real systems, and has better calculation CPU time with compared to the existing approximations.
NASA Technical Reports Server (NTRS)
Che, H.; Goldstein, M. L.; Vinas, A. F.
2014-01-01
The observed steep kinetic scale turbulence spectrum in the solar wind raises the question of how that turbulence originates. Observations of keV energetic electrons during solar quiet time suggest them as a possible source of free energy to drive kinetic turbulence. Using particle-in-cell simulations, we explore how the free energy released by an electron two-stream instability drives Weibel-like electromagnetic waves that excite wave-wave interactions. Consequently, both kinetic Alfvénic and whistler turbulence are excited that evolve through inverse and forward magnetic energy cascades.
Prediction of free turbulent mixing using a turbulent kinetic energy method
NASA Technical Reports Server (NTRS)
Harsha, P. T.
1973-01-01
Free turbulent mixing of two-dimensional and axisymmetric one- and two-stream flows is analyzed by a relatively simple turbulent kinetic energy method. This method incorporates a linear relationship between the turbulent shear and the turbulent kinetic energy and an algebraic relationship for the length scale appearing in the turbulent kinetic energy equation. Good results are obtained for a wide variety of flows. The technique is shown to be especially applicable to flows with heat and mass transfer, for which nonunity Prandtl and Schmidt numbers may be assumed.
NASA Technical Reports Server (NTRS)
Schmid, L. A.
1977-01-01
The case of a cold gas in the absence of external force fields is considered. Since the only energy involved is kinetic energy, the total kinetic action (i.e., the space-time integral of the kinetic energy density) should serve as the total free-energy functional in this case, and as such should be a local minimum for all possible fluctuations about stable flow. This conjecture is tested by calculating explicit, manifestly covariant expressions for the first and second variations of the total kinetic action in the context of Lagrangian kinematics. The general question of the correlation between physical stability and the convexity of any action integral that can be interpreted as the total free-energy functional of the flow is discussed and illustrated for the cases of rectillinear and rotating shearing flows.
The role of latent heat in kinetic energy conversions of South Pacific cyclones
NASA Technical Reports Server (NTRS)
Kann, Deirdre M.; Vincent, Dayton G.
1986-01-01
The four-dimensional behavior of cyclone systems in the South Pacific Convergence Zone (SPCZ) is analyzed. Three cyclone systems, which occurred during the period from January 10-16, 1979, are examined using the data collected during the first special observing period of the FGGE. The effects of latent heating on the life cycles of the cyclones are investigated. Particular attention is given to the conversions of eddy available potential energy to eddy kinetic energy and of mean kinetic energy to eddy kinetic energy. The net radiation profile, sensible heat flux, total field of vertical motion, and latent heat component were computed. The life cycles of the cyclones are described. It is observed that the latent heating component accounts for nearly all the conversion in the three cyclones, and latent heating within the SPCZ is the major source of eddy kinetic energy for the cyclones.
Klix, Christian L; Murata, Ken-ichiro; Tanaka, Hajime; Williams, Stephen R; Malins, Alex; Royall, C Patrick
2013-01-01
Colloidal clusters are an unusual state of matter where tunable interactions enable a sufficient reduction in their degrees of freedom that their energy landscapes can become tractable - they form a playground for statistical mechanics and promise unprecedented control of structure on the submicron lengthscale. We study colloidal clusters in a system where a short-ranged polymer-induced attraction drives clustering, while a weak, long-ranged electrostatic repulsion prevents extensive aggregation. We compare experimental yields of cluster structures with theory which assumes simple addition of competing isotropic interactions between the colloids. Here we show that for clusters of size 4 ≤ m ≤ 7, the yield of minimum energy clusters is much less than expected. We attribute this to an anisotropic self-organized surface charge distribution which leads to unexpected kinetic trapping. We introduce a model for the coupling between counterions and binding sites on the colloid surface with which we interpret our findings.
Kinetic aspects of the formation of aluminium oxide by use of a microwave-induced plasma.
Quade, A; Steffen, H; Hippler, R; Wulff, H
2002-10-01
The oxidation of thin aluminium layers in a microwave plasma has been investigated to determine the kinetics of oxide growth. Thin Al-coatings were oxidized by means of a variety of gas mixtures, characterized by different partial pressures of oxygen, in microwave-induced plasmas of different power. To study the whole kinetic process the Al-metal and the oxide formed were investigated by means of a combination of grazing incidence X-ray reflectometry (GIXR) and grazing incidence X-ray diffractometry (GIXRD). XPS and FTIR spectroscopy confirmed the formation of stoichiometric Al(2)O(3). The alumina formed is X-ray amorphous. Quantitative description of oxide formation was achieved indirectly by determination of the decrease in the integrated intensity of the Al(111)-peak and the total thickness of the whole coating. These values enabled calculation of kinetic data. It was found that oxide growth was a combination of two simultaneous processes - diffusion and sputter processes. The diffusion coefficient D (cm(2) s(-1)) and the sputter rate S (nm s(-1)) were determined. The effect of the composition of the gas mixture, microwave power, and concentration of activated oxygen species on the oxidation process will be discussed. For calculation of the activation energy, E(A), of this plasma-enhanced diffusion process the temperature-dependence of D was investigated.
Model for Strain-Induced Precipitation Kinetics in Microalloyed Steels
NASA Astrophysics Data System (ADS)
Medina, Sebastian F.; Quispe, Alberto; Gomez, Manuel
2013-10-01
Based on Dutta and Sellars's expression for the start of strain-induced precipitation in microalloyed steels, a new model has been constructed which takes into account the influence of variables such as microalloying element percentages, strain, temperature, strain rate, and grain size. Although the equation given by these authors reproduces the typical "C" shape of the precipitation start time (P s) curve well, the expression is not reliable for all cases. Recrystallization-precipitation-time-temperature diagrams have been plotted thanks to a new experimental study carried out by means of hot torsion tests on approximately twenty microalloyed steels with different Nb, V, and Ti contents. Mathematical analysis of the results recommends the modification of some parameters such as the supersaturation ratio (K s) and constant B, which is no longer a constant, but a function of K s when the latter is calculated at the nose temperature (T N) of the P s curve. The value of parameter B is deduced from the minimum point or nose of the P s curve, where ∂t 0.05/∂T is equal to zero, and it can be demonstrated that B cannot be a constant. The new expressions for these parameters are derived from the latest studies undertaken by the authors and this work represents an attempt to improve the model. The expressions are now more consistent and predict the precipitation-time-temperature curves with remarkable accuracy. The model for strain-induced precipitation kinetics is completed by means of Avrami's equation.
Energy Conservation Tests of a Coupled Kinetic-kinetic Plasma-neutral Transport Code
Stotler, D. P.; Chang, C. S.; Ku, S. H.; Lang, J.; Park, G.
2012-08-29
A Monte Carlo neutral transport routine, based on DEGAS2, has been coupled to the guiding center ion-electron-neutral neoclassical PIC code XGC0 to provide a realistic treatment of neutral atoms and molecules in the tokamak edge plasma. The DEGAS2 routine allows detailed atomic physics and plasma-material interaction processes to be incorporated into these simulations. The spatial pro le of the neutral particle source used in the DEGAS2 routine is determined from the uxes of XGC0 ions to the material surfaces. The kinetic-kinetic plasma-neutral transport capability is demonstrated with example pedestal fueling simulations.
On the Equipartition of Kinetic Energy in an Ideal Gas Mixture
ERIC Educational Resources Information Center
Peliti, L.
2007-01-01
A refinement of an argument due to Maxwell for the equipartition of translational kinetic energy in a mixture of ideal gases with different masses is proposed. The argument is elementary, yet it may work as an illustration of the role of symmetry and independence postulates in kinetic theory. (Contains 1 figure.)
Determination of equivalent amounts of kinetic energy, work, and heat energy in the human body.
Cinar, Yildirim
2002-07-01
The goal of this study is determine the mechanical equivalent of heat and the functional capacity of metabolism of walking at a slow pace (velocity = 4022m/hour, length of a step=75cm, energy utilization of a 70 kg person is 200kcal/hour). 50 healthy physicians were chosen randomly, and up and down motion of the body were determined as 6cm while stepping. Based on these, the heat equivalent is 37.5kcal/hour for horizontal motion and 52.7kcal/hour for 6cm up-and-down bobbing motions of body, and the functional capacity of metabolism is at least 45% ([37.5+52.7]/200=45%) for slow walking state, that this capacity is twofold more than earlier information. Muscle converts kinetic energy (work) to heat via friction, and heat sources of the body, and the concepts of thermogenesis and the functional capacity of metabolism should be revised.
Vos, M.; Marmitt, G. G.; Finkelstein, Y.; Moreh, R.
2015-09-14
Reflection electron energy loss spectra from some insulating materials (CaCO{sub 3}, Li{sub 2}CO{sub 3}, and SiO{sub 2}) taken at relatively high incoming electron energies (5–40 keV) are analyzed. Here, one is bulk sensitive and a well-defined onset of inelastic excitations is observed from which one can infer the value of the band gap. An estimate of the band gap was obtained by fitting the spectra with a procedure that includes the recoil shift and recoil broadening affecting these measurements. The width of the elastic peak is directly connected to the mean kinetic energy of the atom in the material (Doppler broadening). The experimentally obtained mean kinetic energies of the O, C, Li, Ca, and Si atoms are compared with the calculated ones, and good agreement is found, especially if the effect of multiple scattering is taken into account. It is demonstrated experimentally that the onset of the inelastic excitation is also affected by Doppler broadening. Aided by this understanding, we can obtain a good fit of the elastic peak and the onset of inelastic excitations. For SiO{sub 2}, good agreement is obtained with the well-established value of the band gap (8.9 eV) only if it is assumed that the intensity near the edge scales as (E − E{sub gap}){sup 1.5}. For CaCO{sub 3}, the band gap obtained here (7 eV) is about 1 eV larger than the previous experimental value, whereas the value for Li{sub 2}CO{sub 3} (7.5 eV) is the first experimental estimate.
NASA Astrophysics Data System (ADS)
Vos, M.; Marmitt, G. G.; Finkelstein, Y.; Moreh, R.
2015-09-01
Reflection electron energy loss spectra from some insulating materials (CaCO3, Li2CO3, and SiO2) taken at relatively high incoming electron energies (5-40 keV) are analyzed. Here, one is bulk sensitive and a well-defined onset of inelastic excitations is observed from which one can infer the value of the band gap. An estimate of the band gap was obtained by fitting the spectra with a procedure that includes the recoil shift and recoil broadening affecting these measurements. The width of the elastic peak is directly connected to the mean kinetic energy of the atom in the material (Doppler broadening). The experimentally obtained mean kinetic energies of the O, C, Li, Ca, and Si atoms are compared with the calculated ones, and good agreement is found, especially if the effect of multiple scattering is taken into account. It is demonstrated experimentally that the onset of the inelastic excitation is also affected by Doppler broadening. Aided by this understanding, we can obtain a good fit of the elastic peak and the onset of inelastic excitations. For SiO2, good agreement is obtained with the well-established value of the band gap (8.9 eV) only if it is assumed that the intensity near the edge scales as (E - Egap)1.5. For CaCO3, the band gap obtained here (7 eV) is about 1 eV larger than the previous experimental value, whereas the value for Li2CO3 (7.5 eV) is the first experimental estimate.
New Ro-Vibrational Kinetic Energy Operators using Polyspherical Coordinates for Polyatomic Molecules
NASA Technical Reports Server (NTRS)
Schwenke, David W.; Kwak, Dochan (Technical Monitor)
2002-01-01
We illustrate how one can easily derive kinetic energy operators for polyatomic molecules using polyspherical coordinates with very general choices for z-axis embeddings arid angles used to specify relative orientations of internal vectors. Computer algebra is not required.
Ceriotti, Michele; Manolopoulos, David E
2012-09-07
Light nuclei at room temperature and below exhibit a kinetic energy which significantly deviates from the predictions of classical statistical mechanics. This quantum kinetic energy is responsible for a wide variety of isotope effects of interest in fields ranging from chemistry to climatology. It also furnishes the second moment of the nuclear momentum distribution, which contains subtle information about the chemical environment and has recently become accessible to deep inelastic neutron scattering experiments. Here, we show how, by combining imaginary time path integral dynamics with a carefully designed generalized Langevin equation, it is possible to dramatically reduce the expense of computing the quantum kinetic energy. We also introduce a transient anisotropic Gaussian approximation to the nuclear momentum distribution which can be calculated with negligible additional effort. As an example, we evaluate the structural properties, the quantum kinetic energy, and the nuclear momentum distribution for a first-principles simulation of liquid water.
Modelling rainfall kinetic energy: a novel approach to erosion prediction and management
NASA Astrophysics Data System (ADS)
Nissan, H.; Toumi, R.
2013-12-01
Soil erosion is already a major global problem. Climate change and the rising world population will exert growing pressure on our land to deliver food and stability. This study presents a new and innovative application of a cloud resolving model, for use in soil erosion prediction studies. Rainfall kinetic energy flux is an important variable in erosion prediction, but is generally parameterized from intensity due to measurement difficulties. Instead, we show that a cloud resolving model can be used to dynamically simulate the kinetic energy of rain from basic physics, using four commonly used microphysics schemes. Rainfall kinetic energy flux is modelled during an idealized supercell storm with the Weather Research and Forecasting model. Results are within the range of observations and also capture the observed variability in kinetic energy flux for a given rainfall intensity, where current methods fail. Large raindrops are shown to contribute disproportionately to total kinetic energy flux compared with their number, suggesting that several existing relations between terminal velocity and size of raindrops are poorly suited for kinetic energy modelling. Treatment of raindrop size is tested and compared between the schemes, and factors influencing the erosive potential of rainfall will also be discussed. This work demonstrates the potential for conducting erosion prediction studies using a regional climate model. The method presented here may be easily extended for use in a full regional climate model with a microphysics parameterization scheme. This paves the way for full climate, and climate change, simulations of rainfall erosivity on regional to global scales and may contribute towards the ultimate integration of an erosion prediction scheme into climate models to allow coupled interactions with the atmosphere. Reference: Geophys. Res. Lett., 40, doi:10.1002/grl.50622 Schematic showing raindrop number density, rain mass flux and kinetic energy flux as
Parametric imaging via kinetics-induced filter for dynamic positron emission tomography.
Bian, Zhaoying; Huang, Jing; Lu, Lijun; Ma, Jianhua; Zeng, Dong; Feng, Qianjin; Chen, Wufan
2013-01-01
Due to the noisy measurement of the voxel-wise time activity curve (TAC), parametric imaging for dynamic positron emission tomography (PET) is a challenging task. To address this problem, some spatial filters, such as Gaussian filter, bilateral filter, wavelet-based filter, and so on, are often performed to reduce the noise of each frame. However, these filters usually just consider local properties of each frame without exploring the kinetic information. In this paper, aiming to improve the quantitative accuracy of parametric imaging, we present a kinetics-induced filter to lower the noise of dynamic PET images by incorporating the kinetic information. The present kinetics-induced filter is designed via the similarity between voxel-wise TACs under the framework of bilateral filter. Experimental results with a simulation study demonstrate that the present kinetics-induced filter can achieve noticeable gains than other existing methods for parametric images in terms of quantitative accuracy measures.
Garcia-Aldea, David; Alvarellos, J. E.
2008-02-15
We propose a kinetic energy density functional scheme with nonlocal terms based on the von Weizsaecker functional, instead of the more traditional approach where the nonlocal terms have the structure of the Thomas-Fermi functional. The proposed functionals recover the exact kinetic energy and reproduce the linear response function of homogeneous electron systems. In order to assess their quality, we have tested the total kinetic energies as well as the kinetic energy density for atoms. The results show that these nonlocal functionals give as good results as the most sophisticated functionals in the literature. The proposed scheme for constructing the functionals means a step ahead in the field of fully nonlocal kinetic energy functionals, because they are capable of giving better local behavior than the semilocal functionals, yielding at the same time accurate results for total kinetic energies. Moreover, the functionals enjoy the possibility of being evaluated as a single integral in momentum space if an adequate reference density is defined, and then quasilinear scaling for the computational cost can be achieved.
Kinetic Energy Corrections for Slip-Stick Behavior in Brittle Adhesives
NASA Technical Reports Server (NTRS)
Macon, David J.; Anderson, Greg L.; McCool, Alex (Technical Monitor)
2001-01-01
Fracture mechanics is the study of the failure of a body that contains a flaw. In the energy balance approach to fracture mechanics, contributions from the external work and elastic strain energy are accounted for but rarely are corrections for the kinetic energy given. Under slip-stick conditions, part of the external work is expended as kinetic energy. The magnitude of this kinetic energy depends upon the shape of the crack. A specimen with a blunt crack will fail at a high load and the crack will catastrophically travel through the material until the kinetic energy is dissipated. Material with a sharp crack will fail at a lower load but will still be catastrophic in nature. A kinetic term is incorporated into the energy balance approach. This term accounts for the velocity of the crack after failure and how far the crack travels before arresting. This correction makes the shape of the initiation crack irrelevant. When applied to data generated by tapered double cantilever beam specimens under slip-stick conditions, the scatter in the measured critical strain energy release rate is significantly reduced.
Pressure induced manifold enhancement of Li-kinetics in FCC fullerene.
Das, Deya; Han, Sang Soo; Lee, Kwang-Ryeol; Singh, Abhishek K
2014-10-21
The reduction of the diffusion energy barrier for Li in electrodes is one of the required criteria to achieve better performances in Li ion batteries. Using density functional theory based calculations, we report a pressure induced manifold enhancement of Li-kinetics in bulk FCC fullerene. Scanning of the potential energy surface reveals a diffusion path with a low energy barrier of 0.62 eV, which reduces further under the application of hydrostatic pressure. The pressure induced reduction in the diffusion barrier continues till a uniform volume strain of 17.7% is reached. Further enhancement of strain increases the barrier due to the repulsion caused by C-C bond formation between two neighbouring fullerenes. The decrease in the barrier is attributed to the combined effect of charge transfer triggered by the enhanced interaction of Li with the fullerene as well as the change in profile of the local potential, which becomes more attractive for Li. The lowering of the barrier leads to an enhancement of two orders of magnitude in Li diffusivity at room temperature making pressurized bulk fullerene a promising artificial solid electrolyte interface (SEI) for a faster rechargeable battery.
Neutron kinetics in moderators and SNM detection through epithermal-neutron-induced fissions
NASA Astrophysics Data System (ADS)
Gozani, Tsahi; King, Michael J.
2016-01-01
Extension of the well-established Differential Die Away Analysis (DDAA) into a faster time domain, where more penetrating epithermal neutrons induce fissions, is proposed and demonstrated via simulations and experiments. In the proposed method the fissions stimulated by thermal, epithermal and even higher-energy neutrons are measured after injection of a narrow pulse of high-energy 14 MeV (d,T) or 2.5 MeV (d,D) source neutrons, appropriately moderated. The ability to measure these fissions stems from the inherent correlation of neutron energy and time ("E-T" correlation) during the process of slowing down of high-energy source neutrons in common moderating materials such as hydrogenous compounds (e.g., polyethylene), heavy water, beryllium and graphite. The kinetic behavior following injection of a delta-function-shaped pulse (in time) of 14 MeV neutrons into such moderators is studied employing MCNPX simulations and, when applicable, some simple "one-group" models. These calculations served as a guide for the design of a source moderator which was used in experiments. Qualitative relationships between slowing-down time after the pulse and the prevailing neutron energy are discussed. A laboratory system consisting of a 14 MeV neutron generator, a polyethylene-reflected Be moderator, a liquid scintillator with pulse-shape discrimination (PSD) and a two-parameter E-T data acquisition system was set up to measure prompt neutron and delayed gamma-ray fission signatures in a 19.5% enriched LEU sample. The measured time behavior of thermal and epithermal neutron fission signals agreed well with the detailed simulations. The laboratory system can readily be redesigned and deployed as a mobile inspection system for SNM in, e.g., cars and vans. A strong pulsed neutron generator with narrow pulse (<75 ns) at a reasonably high pulse frequency could make the high-energy neutron induced fission modality a realizable SNM detection technique.
Effect of kinetic energy on the doping efficiency of cesium cations into superfluid helium droplets
Chen, Lei; Zhang, Jie; Freund, William M.; Kong, Wei
2015-07-28
We present an experimental investigation of the effect of kinetic energy on the ion doping efficiency of superfluid helium droplets using cesium cations from a thermionic emission source. The kinetic energy of Cs{sup +} is controlled by the bias voltage of a collection grid collinearly arranged with the droplet beam. Efficient doping from ions with kinetic energies from 20 eV up to 480 V has been observed in different sized helium droplets. The relative ion doping efficiency is determined by both the kinetic energy of the ions and the average size of the droplet beam. At a fixed source temperature, the number of doped droplets increases with increasing grid voltage, while the relative ion doping efficiency decreases. This result implies that not all ions are captured upon encountering with a sufficiently large droplet, a deviation from the near unity doping efficiency for closed shell neutral molecules. We propose that this drop in ion doping efficiency with kinetic energy is related to the limited deceleration rate inside a helium droplet. When the source temperature changes from 14 K to 17 K, the relative ion doping efficiency decreases rapidly, perhaps due to the lack of viable sized droplets. The size distribution of the Cs{sup +}-doped droplet beam can be measured by deflection and by energy filtering. The observed doped droplet size is about 5 × 10{sup 6} helium atoms when the source temperature is between 14 K and 17 K.
Effect of kinetic energy on the doping efficiency of cesium cations into superfluid helium droplets.
Chen, Lei; Zhang, Jie; Freund, William M; Kong, Wei
2015-07-28
We present an experimental investigation of the effect of kinetic energy on the ion doping efficiency of superfluid helium droplets using cesium cations from a thermionic emission source. The kinetic energy of Cs(+) is controlled by the bias voltage of a collection grid collinearly arranged with the droplet beam. Efficient doping from ions with kinetic energies from 20 eV up to 480 V has been observed in different sized helium droplets. The relative ion doping efficiency is determined by both the kinetic energy of the ions and the average size of the droplet beam. At a fixed source temperature, the number of doped droplets increases with increasing grid voltage, while the relative ion doping efficiency decreases. This result implies that not all ions are captured upon encountering with a sufficiently large droplet, a deviation from the near unity doping efficiency for closed shell neutral molecules. We propose that this drop in ion doping efficiency with kinetic energy is related to the limited deceleration rate inside a helium droplet. When the source temperature changes from 14 K to 17 K, the relative ion doping efficiency decreases rapidly, perhaps due to the lack of viable sized droplets. The size distribution of the Cs(+)-doped droplet beam can be measured by deflection and by energy filtering. The observed doped droplet size is about 5 × 10(6) helium atoms when the source temperature is between 14 K and 17 K.
A kinetic energy analysis of the meso beta-scale severe storm environment
NASA Technical Reports Server (NTRS)
Fuelberg, H. E.; Printy, M. F.
1984-01-01
Analyses are performed of the meso beta-scale (20-200 km wavelengths and several hours to one-day periods) severe storm kinetic energy balance on the fifth day of the AVE SESAME campaign of May 1979. A 24-hr interval covering the antecedent, active and post-convective outbreak activity over Oklahoma are considered. Use is made of the kinetic energy budget equation (KEBE) for a finite volume in an isobaric coordinate system. Rawindsonde data with 75 km resolution were treated. The KEBE model covered changes in kinetic energy due to the cross contour flows, horizontal and vertical components of flux divergence, and volumic mass changes on synoptic and subsynoptic scales. The greatest variability was concentrated above 400 mb height and over the most intense storm activity. Energy was generated at the highest rates in divergence and decreased the most in convection. The meso beta-scale lacked sufficient resolution for analyzing mesoscale activity.
Relativistic Momentum and Kinetic Energy, and E = mc[superscript 2
ERIC Educational Resources Information Center
Hu, Ben Yu-Kuang
2009-01-01
Based on relativistic velocity addition and the conservation of momentum and energy, I present simple derivations of the expressions for the relativistic momentum and kinetic energy of a particle, and for the formula E = mc[superscript 2]. (Contains 5 footnotes and 2 figures.)
Measurement of the Kinetic Energy of a Body by Means of a Deformation.
ERIC Educational Resources Information Center
Perez, Pedro J.; And Others
1996-01-01
Describes a technique that measures the deformation produced in a plastic material by a falling ball in order to compute the ball's kinetic energy. Varying the parameters produces accurate results and gives students a good understanding of the measurement of energy. Combines various mechanical concepts that students have learned separately in…
NEW APPROACHES: Measurement of the kinetic energy of a body by means of a deformation
NASA Astrophysics Data System (ADS)
Pérez, Pedro J.; Castellvi, Francesc; Rosell, Joan I.
1996-07-01
The simple technique of measuring the deformation produced in a plastic material by a falling ball can be used to compute the ball's kinetic energy. Varying the parameters in this simple experiment can produce accurate results and give students a good understanding of the measurement of energy.
Hu, Wei-Jiang; Yan, Li; Park, Daeui; Jeong, Hyoung Oh; Chung, Hae Young; Yang, Jun-Mo; Ye, Zhuo Ming; Qian, Guo-Ying
2012-04-01
Tyrosinase plays a central role in biological pigment formation, and hence knowledge of tyrosinase catalytic mechanisms and regulation may have medical, cosmetic, and agricultural applications. We found in this study that arabinose significantly inhibited tyrosinase, and this was accompanied by conformational changes in enzyme structure. Kinetic analysis showed that arabinose-mediated inactivation followed first-order kinetics, and single and multiple classes of rate constants were measured. Arabinose displayed a mixed-type inhibitory mechanism with K(i)=0.22±0.07 mM. Measurements of intrinsic and ANS-binding fluorescence showed that arabinose induced tyrosinase to unfold and expose inner hydrophobic regions. We simulated the docking between tyrosinase and arabinose (binding energies were -26.28 kcal/mol for Dock6.3 and -2.02 kcal/mol for AutoDock4.2) and results suggested that arabinose interacts mostly with His61, Asn260, and Met280. The present strategy of predicting tyrosinase inhibition by simulation of docking by hydroxyl groups may prove useful in screening for potential tyrosinase inhibitors, as shown here for arabinose.
Kinetic energy of rainfall an important driver of soil erosion - how reliable are our estimates?
NASA Astrophysics Data System (ADS)
Wilken, Florian; Sommer, Michael; Fiener, Peter
2016-04-01
The most important process initiating interrill erosion is the detachment of soil particles via splash processes. Splash erosion intensity is depending on soil and rainfall characteristics. Rainfall characteristics are essentially determined by the drop size and fall velocity, leading to a specific kinetic energy of rainfall. In consequence, the kinetic energy of rain events is often directly or indirectly included in erosion models to calculate splash erosion. Therefore, rainfall kinetic energy is commonly derived by empirical functions (e.g. RUSLE; Renard et al. 1997) from available rainfall intensity measurements. The aim of this study is to analyze the event type-specific uncertainties inherent in these empirical functions purely based on rainfall intensity measurements. Therefore, we compare rainfall energies calculated from rainfall intensities measured with a standard tipping bucket rain gauge to rainfall energy measurements taken by laser distrometers. These allow to calculate rainfall kinetic energy from a spectrum of measured drop sizes and fall velocities. The study was carried out in NE-Germany in a test area with an average annual precipitation of approximately 500 mm dominated by intense convective precipitation. We compare one year of data from two laser distrometers and two tipping buckets installed at two locations about 1 km apart. Our results show distinct differences for high intensity events between the measuring techniques. We found notably higher rainfall kinetic energy for high intensity events measured by the laser distrometer compared to the tipping bucked derived kinetic energy. This points to a measurement bias of high erosive rainfall events which would be of particular relevance for erosion studies.
Kinetic Kaleidoscope: Exploring Movement and Energy in the Visual Arts.
ERIC Educational Resources Information Center
Herman, Gail Neary; Hollingsworth, Patricia
Works of visual art contain an inner dynamism and energy that an individual's perceptual apparatus can translate into kinesthetic impressions, movement, and sound. Through this translation, a child's natural energies can interact with the artwork through multiple sensory experiences, enriching art appreciation. After a brief examination of the…
NASA Astrophysics Data System (ADS)
Davies, A. R.; Veron, F.; Oliver, M. J.
2014-12-01
The Southern Ocean is an iron limited, high nitrate, low chlorophyll region that draws considerable attention as a potential site for carbon drawdown through iron fertilization. However, there are no prolonged in-situ observations of the mechanisms driving naturally occurring blooms in this region. Here we present results from an APEX biofloat that continuously profiled the Drake Passage from ~ 2,000 m to the surface every two days. The biofloat measured the development and export of a naturally occurring phytoplankton bloom in the Drake Passage. Our analysis indicates that low levels of mesoscale kinetic energy coincided with the observed phytoplankton bloom. We postulate that low KE level are a precondition for bloom onset in the Drake Passage, which is confirmed by satellite observations. High levels of mesoscale kinetic energy immediately followed the phytoplankton bloom and appear to have facilitated organic carbon export to the deep ocean by changing the neutral density depths of aggregated cells. Furthermore, satellite observations in Drake Passage suggest that high levels of mesoscale kinetic energy limit bloom formation. We suggest that low mesoscale kinetic energy is a precondition for bloom formation in the Drake Passage before other potentially limiting factors become significant (e.g. grazing relation, macronutrients, micronutrients). If mesoscale kinetic energy were to impose a limitation on phytoplankton concentrations across the entire Southern Ocean, there may be regions unsuitable for geoengineered draw down of atmospheric carbon dioxide through large scale iron additions.
Kinetics and Energy Transfer in Nonequilibrium Fluid Flows
1993-02-03
Crosley, Molecular Physics Laboratory, SRI International, Menlo Park, California 94025 Abstract Laser-induced fluorescence has reached maturity as an...FLUORESCENCE IN COMBUSTION The technique of laser-induced fluorescence has attained maturity in the field of combustion science. At the Twenty-fourth...HCO by the photolysis of slowly flowing acetaldehyde in a room temperature cell [12]. An excitation spectrum showing several bands of this electronic
Estimation of the kinetic energy dissipation in fall-arrest system and manikin during fall impact.
Wu, John Z; Powers, John R; Harris, James R; Pan, Christopher S
2011-04-01
Fall-arrest systems (FASs) have been widely applied to provide a safe stop during fall incidents for occupational activities. The mechanical interaction and kinetic energy exchange between the human body and the fall-arrest system during fall impact is one of the most important factors in FAS ergonomic design. In the current study, we developed a systematic approach to evaluate the energy dissipated in the energy absorbing lanyard (EAL) and in the harness/manikin during fall impact. The kinematics of the manikin and EAL during the impact were derived using the arrest-force time histories that were measured experimentally. We applied the proposed method to analyse the experimental data of drop tests at heights of 1.83 and 3.35 m. Our preliminary results indicate that approximately 84-92% of the kinetic energy is dissipated in the EAL system and the remainder is dissipated in the harness/manikin during fall impact. The proposed approach would be useful for the ergonomic design and performance evaluation of an FAS. STATEMENT OF RELEVANCE: Mechanical interaction, especially kinetic energy exchange, between the human body and the fall-arrest system during fall impact is one of the most important factors in the ergonomic design of a fall-arrest system. In the current study, we propose an approach to quantify the kinetic energy dissipated in the energy absorbing lanyard and in the harness/body system during fall impact.
Numerical Simulations of the Kinetic Energy Transfer in the Bath of a BOF Converter
NASA Astrophysics Data System (ADS)
Zhou, Xiaobin; Ersson, Mikael; Zhong, Liangcai; Jönsson, Pär
2016-02-01
The paper focuses on the fundamental aspects of the kinetic energy transfer from a top and bottom gas injection to the bath of the basic oxygen furnace (BOF) by applying a mathematical model. The analyses revealed that the energy transfer is less efficient when top lance height is lowered or the flowrate is increased in the top blowing operations. However, an inverse trend was found that the kinetic energy transfer is increased when the bottom flowrate is increased for the current bottom blowing operation conditions. The kinetic energy transfer index results indicated that the energy transfer for the bottom blowing is much more efficient than that of the top blowing operations. To understand the effects of the upper buoyant phase on the energy dissipation of the bulk liquid in the bath, different mass and physical properties of slag and foam were considered in the bottom blowing simulations. The slag on top of the bath is found to dissipate by 6.6, 9.4, and 11.2 pct for slag mass values of 5, 9, and 15 t compared to the case without slag atop the surface of the bath, respectively. The results showed that the kinetic energy transfer is not largely influenced by the viscosity of the upper slag or the foaming phases.
Exact kinetic energy enables accurate evaluation of weak interactions by the FDE-vdW method
Sinha, Debalina; Pavanello, Michele
2015-08-28
The correlation energy of interaction is an elusive and sought-after interaction between molecular systems. By partitioning the response function of the system into subsystem contributions, the Frozen Density Embedding (FDE)-vdW method provides a computationally amenable nonlocal correlation functional based on the adiabatic connection fluctuation dissipation theorem applied to subsystem density functional theory. In reproducing potential energy surfaces of weakly interacting dimers, we show that FDE-vdW, either employing semilocal or exact nonadditive kinetic energy functionals, is in quantitative agreement with high-accuracy coupled cluster calculations (overall mean unsigned error of 0.5 kcal/mol). When employing the exact kinetic energy (which we term the Kohn-Sham (KS)-vdW method), the binding energies are generally closer to the benchmark, and the energy surfaces are also smoother.
Exact kinetic energy enables accurate evaluation of weak interactions by the FDE-vdW method.
Sinha, Debalina; Pavanello, Michele
2015-08-28
The correlation energy of interaction is an elusive and sought-after interaction between molecular systems. By partitioning the response function of the system into subsystem contributions, the Frozen Density Embedding (FDE)-vdW method provides a computationally amenable nonlocal correlation functional based on the adiabatic connection fluctuation dissipation theorem applied to subsystem density functional theory. In reproducing potential energy surfaces of weakly interacting dimers, we show that FDE-vdW, either employing semilocal or exact nonadditive kinetic energy functionals, is in quantitative agreement with high-accuracy coupled cluster calculations (overall mean unsigned error of 0.5 kcal/mol). When employing the exact kinetic energy (which we term the Kohn-Sham (KS)-vdW method), the binding energies are generally closer to the benchmark, and the energy surfaces are also smoother.
Makwana, K. D.; Zhdankin, V.; Li, H.; ...
2015-04-10
We performed simulations of decaying magnetohydrodynamic (MHD) turbulence with a fluid and a kinetic code. The initial condition is an ensemble of long-wavelength, counter-propagating, shear-Alfvén waves, which interact and rapidly generate strong MHD turbulence. The total energy is conserved and the rate of turbulent energy decay is very similar in both codes, although the fluid code has numerical dissipation, whereas the kinetic code has kinetic dissipation. The inertial range power spectrum index is similar in both the codes. The fluid code shows a perpendicular wavenumber spectral slope of k-1.3⊥k⊥-1.3. The kinetic code shows a spectral slope of k-1.5⊥k⊥-1.5 for smallermore » simulation domain, and k-1.3⊥k⊥-1.3 for larger domain. We then estimate that collisionless damping mechanisms in the kinetic code can account for the dissipation of the observed nonlinear energy cascade. Current sheets are geometrically characterized. Their lengths and widths are in good agreement between the two codes. The length scales linearly with the driving scale of the turbulence. In the fluid code, their thickness is determined by the grid resolution as there is no explicit diffusivity. In the kinetic code, their thickness is very close to the skin-depth, irrespective of the grid resolution. Finally, this work shows that kinetic codes can reproduce the MHD inertial range dynamics at large scales, while at the same time capturing important kinetic physics at small scales.« less
Makwana, K. D.; Zhdankin, V.; Li, H.; Daughton, W.; Cattaneo, F.
2015-04-10
We performed simulations of decaying magnetohydrodynamic (MHD) turbulence with a fluid and a kinetic code. The initial condition is an ensemble of long-wavelength, counter-propagating, shear-Alfvén waves, which interact and rapidly generate strong MHD turbulence. The total energy is conserved and the rate of turbulent energy decay is very similar in both codes, although the fluid code has numerical dissipation, whereas the kinetic code has kinetic dissipation. The inertial range power spectrum index is similar in both the codes. The fluid code shows a perpendicular wavenumber spectral slope of k-1.3⊥k⊥-1.3. The kinetic code shows a spectral slope of k-1.5⊥k⊥-1.5 for smaller simulation domain, and k-1.3⊥k⊥-1.3 for larger domain. We then estimate that collisionless damping mechanisms in the kinetic code can account for the dissipation of the observed nonlinear energy cascade. Current sheets are geometrically characterized. Their lengths and widths are in good agreement between the two codes. The length scales linearly with the driving scale of the turbulence. In the fluid code, their thickness is determined by the grid resolution as there is no explicit diffusivity. In the kinetic code, their thickness is very close to the skin-depth, irrespective of the grid resolution. Finally, this work shows that kinetic codes can reproduce the MHD inertial range dynamics at large scales, while at the same time capturing important kinetic physics at small scales.
NASA Technical Reports Server (NTRS)
Browning, P. A.; Fuelberg, H. E.
1983-01-01
Divergent and rotational components of the synoptic scale kinetic energy balance are presented using rawinsonde data at 3 and 6 h intervals from the Atmospheric Variability Experiment (AVE 4). Two intense thunderstorm complexes occurred during the period. Energy budgets are described for the entire computational region and for limited volumes that enclose and move with the convection. Although small in magnitude, the divergent wind component played an important role in the cross contour generation and horizontal flux divergence of kinetic energy. The importance of V sub D appears directly to the presence and intensity of convection within the area. Although K sub D usually comprised less than 10 percent of the total kinetic energy content within the storm environment, as much as 87 percent of the total horizontal flux divergence and 68 percent of the total cross contour generation was due to the divergent component in the upper atmosphere. Generation of kinetic energy by the divergent component appears to be a major factor in the creation of an upper level wind maximum on the poleward side of one of the complexes. A random error analysis is presented to assess confidence limits in the various energy parameters.
Energy-Driven Kinetic Monte Carlo Method and Its Application in Fullerene Coalescence.
Ding, Feng; Yakobson, Boris I
2014-09-04
Mimicking the conventional barrier-based kinetic Monte Carlo simulation, an energy-driven kinetic Monte Carlo (EDKMC) method was developed to study the structural transformation of carbon nanomaterials. The new method is many orders magnitude faster than standard molecular dynamics or Monte Marlo (MC) simulations and thus allows us to explore rare events within a reasonable computational time. As an example, the temperature dependence of fullerene coalescence was studied. The simulation, for the first time, revealed that short capped single-walled carbon nanotubes (SWNTs) appear as low-energy metastable structures during the structural evolution.
[Responses of biological soil crust to and its relief effect on raindrop kinetic energy].
Qin, Ning-qiang; Zhao, Yun-ge
2011-09-01
Based on the field investigation and by the method of simulated single-drop rain, this paper studied the responses of different types of biological soil crusts (biocrusts) in the wind-water erosion interleaving region of Loess Plateau to and their relief effect on the kinetic energy of raindrops. The responses of the biocrusts to raindrop kinetic energy had close relations with their biological composition. The cyanobacteria-dominated biocrusts with a thickness of 1 cm and the moss-dominated biocrusts with the coverage of 80% could resist in 0.99 J and 75.56 J of cumulative rain drop kinetic energy, respectively, and the potential resistance of the biocrusts with the same biological compositions was relative to the biomass of the biological compositions, i.e., the larger the biomass, the higher the resistance. As the chlorophyll a content of cyanobacteria- dominated biocrusts (which characterizes the cyanobacterial biomass) increased from 3.32 to 3.73 microg x g(-1), the resistance of the biocrusts against the cumulative raindrop kinetic energy increased from 0.99 to 2.17 J; when the moss biomass in the moss- dominated biocrusts increased from 2.03 to 4.73 g x dm(-2), the resistance of the crusts increased from 6.08 to 75.56 J. During the succession of the biocrusts, their responses to the raindrop kinetic energy presented an "S" pattern. No significant differences in the resistance against raindrop cumulative kinetic energy were observed between the cyanobacteria-dominated biocrusts with variable biomass, but the resistance of moss-dominated biocrusts increased significantly as their biomass per unit area increased. The resistance of moss-dominated biocrusts increased linearly when their biomass increased from 2.03 g x dm(-2) to 4.73 g x dm(-2). The moss-dominated biocrusts could resist in 62.03 J of raindrop kinetic energy when their biomass was up to 3.70 g x dm(-2). Biocrusts had obvious effects in relieving raindrop kinetic energy, and the relief effect
Flywheel set for accumulating kinetic energy of rotation
Theyse, F.H.
1980-09-16
A flywheel set is described for accumulating energy with elastically supported bearings, resulting in a low critical speed, lying at all times under the operational flywheel speed. The axial thrust taking bearings, or one bearing, may be operating with magnetic forces.
Bio-kinetic energy harvesting using electroactive polymers
NASA Astrophysics Data System (ADS)
Slade, Jeremiah R.; Bowman, Jeremy; Kornbluh, Roy
2012-06-01
In hybrid vehicles, electric motors are used on each wheel to not only propel the car but also to decelerate the car by acting as generators. In the case of the human body, muscles spend about half of their time acting as a brake, absorbing energy, or doing what is known as negative work. Using dielectric elastomers it is possible to use the "braking" phases of walking to generate power without restricting or fatiguing the Warfighter. Infoscitex and SRI have developed and demonstrated methods for using electroactive polymers (EAPs) to tap into the negative work generated at the knee during the deceleration phase of the human gait cycle and convert it into electrical power that can be used to support wearable information systems, including display and communication technologies. The specific class of EAP that has been selected for these applications is termed dielectric elastomers. Because dielectric elastomers dissipate very little mechanical energy into heat, greater amounts of energy can be converted into electricity than by any other method. The long term vision of this concept is to have EAP energy harvesting cells located in components of the Warfighter ensemble, such as the boot uppers, knee pads and eventually even the clothing itself. By properly locating EAPs at these sites it will be possible to not only harvest power from the negative work phase but to actually reduce the amount of work done by the Warfighter's muscles during this phase, thereby reducing fatigue and minimizing the forces transmitted to the joints.
Concept of variable activation energy and its validity in nonisothermal kinetics.
Tan, Guanglei; Wang, Qi; Zheng, Hongxia; Zhao, Wei; Zhang, Song; Liu, Zhongsuo
2011-06-09
The concept of variable activation energy in solid-state kinetics under nonisothermal conditions has been suffering from doubt and controversy. Rate equations of nonisothermal kinetics of solid decomposition, which involve the factors of thermodynamics conditions, pressure of gaseous product, structure parameters of solid, and/or extent of conversion, are derived from the models of the interface reaction, the diffusion of gaseous product, and the nuclei growth of the solid product, respectively. The definition of the validity function in the rate equations represents the influence of the factors on the reaction rate. A function of variable activation energy depending on the validity function is also developed. The changing trend and degree of activation energy are extrapolated from the function of variable activation energy and based on the data of nonisothermal thermal decomposition of calcium carbonate. It is shown that the concept of variable activation energy is meaningfully applicable to solid-state reactions under nonisothermal conditions.
Energy analysis of convectively induced wind perturbations
NASA Technical Reports Server (NTRS)
Fuelberg, Henry E.; Buechler, Dennis E.
1989-01-01
Budgets of divergent and rotational components of kinetic energy (KD and KR) are examined for four upper level wind speed maxima that develop during the fourth Atmospheric Variability Experiment (AVE IV) and the first AVE-Severe Environmental Storms and Mesoscale Experiment (AVE-SESAME I). A similar budget analysis is performed for a low-level jet stream during AVE-SESAME I. The energetics of the four upper level speed maxima is found to have several similarities. The dominant source of KD is cross-contour flow by the divergent wind, and KD provides a major source of KR via a conversion process. Conversion from available potential energy provides an additional source of KR in three of the cases. Horizontal maps reveal that the conversions involving KD are maximized in regions poleward of the convection. Low-level jet development during AVE-SESAME I appears to be assisted by convective activity to the west.
Magnetic to magnetic and kinetic to magnetic energy transfers at the top of the Earth's core
NASA Astrophysics Data System (ADS)
Huguet, Ludovic; Amit, Hagay; Alboussière, Thierry
2016-11-01
We develop the theory for the magnetic to magnetic and kinetic to magnetic energy transfer between different spherical harmonic degrees due to the interaction of fluid flow and radial magnetic field at the top of the Earth's core. We show that non-zero secular variation of the total magnetic energy could be significant and may provide evidence for the existence of stretching secular variation, which suggests the existence of radial motions at the top of the Earth's core-whole core convection or MAC waves. However, the uncertainties of the small scales of the geomagnetic field prevent a definite conclusion. Combining core field and flow models we calculate the detailed magnetic to magnetic and kinetic to magnetic energy transfer matrices. The magnetic to magnetic energy transfer shows a complex behaviour with local and non-local transfers. The spectra of magnetic to magnetic energy transfers show clear maxima and minima, suggesting an energy cascade. The kinetic to magnetic energy transfers, which are much weaker due to the weak poloidal flow, are either local or non-local between degree one and higher degrees. The patterns observed in the matrices resemble energy transfer patterns that are typically found in 3-D MHD numerical simulations.
Energy transfer and dual cascade in kinetic magnetized plasma turbulence.
Plunk, G G; Tatsuno, T
2011-04-22
The question of how nonlinear interactions redistribute the energy of fluctuations across available degrees of freedom is of fundamental importance in the study of turbulence and transport in magnetized weakly collisional plasmas, ranging from space settings to fusion devices. In this Letter, we present a theory for the dual cascade found in such plasmas, which predicts a range of new behavior that distinguishes this cascade from that of neutral fluid turbulence. These phenomena are explained in terms of the constrained nature of spectral transfer in nonlinear gyrokinetics. Accompanying this theory are the first observations of these phenomena, obtained via direct numerical simulations using the gyrokinetic code AstroGK. The basic mechanisms that are found provide a framework for understanding the turbulent energy transfer that couples scales both locally and nonlocally.
Materials implications of advanced thermal and kinetic energy threats
NASA Astrophysics Data System (ADS)
Fitpatrick, R.; Mescall, J.
1983-05-01
The behavior of materials subjected to laser radiation rather than issues of target acquisition, pointing and tracking, fire control, and damage recognition are discussed. These target acquisition and fire control requirements represents extremely difficult technological problems that must be solved if the Laser is ever to be used as a weapon against hard targets. Questions that must be resolved are outlined as follows: Can laser beams be propagated over large distances along predictable paths? Can available active and passive countermeasures be overcome? Is there a place for large scale, high power, high value directed energy weapons on the battlefield? While these questions are being addressed, the Army materials community is developing a data base on materials and structures vulnerability. This data base will not only serve the hardening community, which has the task of offering protection against directed energy, but also will help the weapon developers determine the effectiveness of their systems.
NASA Technical Reports Server (NTRS)
Han, Jongil; Arya, S. Pal; Shaohua, Shen; Lin, Yuh-Lang; Proctor, Fred H. (Technical Monitor)
2000-01-01
Algorithms are developed to extract atmospheric boundary layer profiles for turbulence kinetic energy (TKE) and energy dissipation rate (EDR), with data from a meteorological tower as input. The profiles are based on similarity theory and scalings for the atmospheric boundary layer. The calculated profiles of EDR and TKE are required to match the observed values at 5 and 40 m. The algorithms are coded for operational use and yield plausible profiles over the diurnal variation of the atmospheric boundary layer.
Laskin, Julia
2015-11-30
In this work, resonant ejection coupled with surface-induced dissociation (SID) in a Fourier transform ion cyclotron resonance mass spectrometer is used to examine fragmentation kinetics of two singly protonated hexapeptides, RYGGFL and KYGGFL, containing the basic arginine residue and less basic lysine residue at the N-terminus. The kinetics of individual reaction channels at different collision energies are probed by applying a short ejection pulse (1 ms) in resonance with the cyclotron frequency of a selected fragment ion and varying the delay time between ion-surface collision and resonant ejection while keeping total reaction delay time constant. Rice-Ramsperger-Kassel-Marcus (RRKM) modeling of the experimental data provides accurate threshold energies and activation entropies of individual reaction channels. Substitution of arginine with less basic lysine has a pronounced effect on the observed fragmentation kinetics of several pathways, including the b2 ion formation, but has little or no effect on formation of the b5+H2O fragment ion. The combination of resonant ejection SID, time- and collision energy-resolved SID, and RRKM modeling of both types of experimental data provides a detailed mechanistic understanding of the primary dissociation pathways of complex gaseous ions.
Kinetics of light-induced ordering and deformation in LC azobenzene-containing materials.
Toshchevikov, Vladimir; Petrova, Tatiana; Saphiannikova, Marina
2017-04-12
Azobenzene-containing smart materials are able to transform the energy of light into directional mechanical stress. We develop a theory of time-dependent light-induced ordering and deformation in azobenzene materials starting from the kinetic equations of photoisomerization. The liquid crystalline (LC) interactions between rod-like trans-isomers are taken into account. Angular selectivity of the photoisomerization known as an "angular hole burning" or the Weigert effect leads to the light-induced ordering and deformation of the azobenzene materials. The time evolution of ordering and deformation is found as a function of intensity of light depending on the opto-mechanical characteristics of the materials, such as probabilities of the optical excitation of trans- and cis-isomers, angular jump during the single isomerization event, viscosity of the materials, strength of the LC interactions in both the isotropic and LC materials, and the angular distribution of chromophores in polymer chains. Established structural-property relationships are in agreement with a number of experiments and can be used for the construction of light-controllable smart materials for practical applications.
Plasmon-induced resonance energy transfer for solar energy conversion
NASA Astrophysics Data System (ADS)
Li, Jiangtian; Cushing, Scott K.; Meng, Fanke; Senty, Tess R.; Bristow, Alan D.; Wu, Nianqiang
2015-09-01
In Förster resonance energy transfer (FRET), energy non-radiatively transfers from a blue-shifted emitter to a red-shifted absorber by dipole-dipole coupling. This study shows that plasmonics enables the opposite transfer direction, transferring the plasmonic energy towards the short-wavelength direction to induce charge separation in a semiconductor. Plasmon-induced resonance energy transfer (PIRET) differs from FRET because of the lack of a Stoke's shift, non-local absorption effects and a strong dependence on the plasmon's dephasing rate and dipole moment. PIRET non-radiatively transfers energy through an insulating spacer layer, which prevents interfacial charge recombination losses and dephasing of the plasmon from hot-electron transfer. The distance dependence of dipole-dipole coupling is mapped out for a range of detuning across the plasmon resonance. PIRET can efficiently harvest visible and near-infrared sunlight with energy below the semiconductor band edge to help overcome the constraints of band-edge energetics for single semiconductors in photoelectrochemical cells, photocatalysts and photovoltaics.
Simulations of thermodynamics and kinetics on rough energy landscapes with milestoning.
Bello-Rivas, Juan M; Elber, Ron
2016-03-05
We investigated by computational means the kinetics and stationary behavior of stochastic dynamics on an ensemble of rough two-dimensional energy landscapes. There are no obvious separations of temporal scales in these systems, which constitute a simple model for the behavior of glasses and some biomaterials. Even though there are significant computational challenges present in these systems due to the large number of metastable states, the Milestoning method is able to compute their kinetic and thermodynamic properties exactly. We observe two clearly distinguished regimes in the overall kinetics: one in which diffusive behavior dominates and another that follows an Arrhenius law (despite the absence of a dominant barrier). We compare our results with those obtained with an exactly-solvable one-dimensional model, and with the results from the rough one-dimensional energy model introduced by Zwanzig. © 2015 Wiley Periodicals, Inc.
Kinetic reconstruction of the free-energy landscape.
Wedekind, Jan; Reguera, David
2008-09-04
We present a new general method to trace back a lot of valuable information from direct simulations and experiments of activated processes. In particular, it allows the reconstruction of the free-energy landscape for an arbitrary reaction coordinate directly from the out-of-equilibrium dynamics of the process. We demonstrate the power of this concept by its application to a molecular dynamics simulation of nucleation of a Lennard-Jones vapor. The same method can be also applied to Brownian dynamics and stochastic simulations.
Alterations in glucose kinetics induced by pentobarbital anesthesia
Lang, C.H.; Bagby, G.J.; Spitzer, J.J.
1986-03-05
Pentobarbital is a common anesthetic agent used in animal research that is known to alter sympathetic function and may also affect carbohydrate metabolism. The in vivo effects of iv pentobarbital on glucose homeostasis were studied in chronically catheterized fasted rats. Whole body glucose kinetics, assessed by the constant iv infusion of (6-/sup 3/H)- and (U-/sup 14/C)-glucose, were determined in all rats in the conscious state. Thereafter, glucose metabolism was followed over the next 4 hr in 3 subgroups of rats; conscious, anesthetized with body temperature maintained, and anesthetized with body temperature not maintained. Hypothermia (a 5/sup 0/C decrease) developed spontaneously in anesthetized rats kept at ambient temperature (22/sup 0/C). No differences were seen in MABP and heart rate between conscious and normothermic anesthetized rats; however, hypothermic anesthetized rats showed a decrease in MABP (20%) and heart rate (35%). Likewise, plasma glucose and lactate concentrations, the rate of glucose appearance (Ra), recycling and metabolic clearance (MCR) did not differ between conscious and normothermic anesthetized animals. In contrast, hypothermic anesthetized rats showed a 50% reduction in plasma lactate, a 40% drop in glucose Ra, and a 30-40% decrease in glucose recycling and MCR. Thus, pentobarbital does not appear to alter in vivo glucose kinetics, compared to unanesthetized controls, provided that body temperature is maintained.
Alterations in glucose kinetics induced by pentobarbital anesthesia
Lang, C.H.; Bagby, G.J.; Hargrove, D.M.; Hyde, P.M.; Spitzer, J.J. )
1987-12-01
Because pentobarbital is often used in investigations related to carbohydrate metabolism, the in vivo effect of this drug on glucose homeostasis was studied. Glucose kinetics assessed by the constant intravenous infusion of (6-{sup 3}H)- and (U-{sup 14}C)glucose, were determined in three groups of catheterized fasted rats: conscious, anesthetized and body temperature maintained, and anesthetized but body temperature not maintained. After induction of anesthesia, marked hypothermia developed in rats not provided with external heat. Anesthetized rats that developed hypothermia showed a decrease in mean arterial blood pressure (25%) and heart rate (40%). Likewise, the plasma lactate concentration and the rates of glucose appearance, recycling, and metabolic clearance were reduced by 30-50% in the hypothermic anesthetized rats. Changes in whole-body carbohydrate metabolism were prevented when body temperature was maintained. Because plasma pentobarbital levels were similar between the euthermic and hypothermic rats during the first 2 h of the experiment, the rapid reduction in glucose metabolism in this latter group appears related to the decrease in body temperature. The continuous infusion of epinephrine produced alterations in glucose kinetics that were not different between conscious animals and anesthetized rats with body temperature maintained. Thus pentobarbital-anesthetized rats became hypothermic when kept at room temperature and exhibited marked decreases in glucose metabolism. Such changes were absent when body temperature was maintained during anesthesia.
Skin penetration assessment of less lethal kinetic energy munitions.
Bir, Cynthia A; Stewart, Shelby J; Wilhelm, Marianne
2005-11-01
The development of less-lethal technologies has provided law enforcement personnel with an alternative to lethal force. Although the less lethal projectile was produced to engender non-penetrating wounds, case studies show that there have been a number of reported penetrating injuries ranging from minor to significant in morbidity. The objective of this study was to determine the energy per unit area required to penetrate various regions of the body. Eight unembalmed postmortem human specimens were procured for this testing. Each specimen sustained a maximum of 25 impacts consisting of shots to the anterior and posterior thorax, abdomen, and legs. A 12-gauge, fin-stabilized, rubber rocket round was used as the impactor for all of the conducted tests. The energy density required for 50% risk of penetration varied from 23.99 J/cm2 for the location on the anterior rib (p = 0.000) to 52.74 J/cm2 for the location on the posterior rib (p = 0.001).
Kinetic-energy matrix elements for atomic Hylleraas-CI wave functions.
Harris, Frank E
2016-05-28
Hylleraas-CI is a superposition-of-configurations method in which each configuration is constructed from a Slater-type orbital (STO) product to which is appended (linearly) at most one interelectron distance rij. Computations of the kinetic energy for atoms by this method have been difficult due to the lack of formulas expressing these matrix elements for general angular momentum in terms of overlap and potential-energy integrals. It is shown here that a strategic application of angular-momentum theory, including the use of vector spherical harmonics, enables the reduction of all atomic kinetic-energy integrals to overlap and potential-energy matrix elements. The new formulas are validated by showing that they yield correct results for a large number of integrals published by other investigators.
The influence of energy migration on luminescence kinetics parameters in upconversion nanoparticles
NASA Astrophysics Data System (ADS)
Alyatkin, Sergey; Asharchuk, Ilya; Khaydukov, Kirill; Nechaev, Andrey; Lebedev, Oleg; Vainer, Yuri; Semchishen, Vladimir; Khaydukov, Evgeny
2017-01-01
The mechanism of upconversion at the nanoscale is still under discussion. In this paper, we report on the experimental results of anti-Stokes luminescence kinetics in the upconversion nanoparticles of β-NaYF4: 20%Yb3+; 0.6%Tm3+. The parameters of the luminescence kinetics were found to be unambiguously dependent on the number of excitation quanta n, which are necessary for certain transitions between the energy states of thulium ions. The observed correlation has been explained by means of the long-lasting energy migration between the ytterbium ions. The spread in time between the luminescent maxima of the corresponding thulium transitions not only shows the nonlinear character of upconversion, but also reveals the time scale of energy migration as well. From these, we derive that the conventional Förster formalism applied to the estimation of energy transfer efficiency in UCNP-fluorophore pairs can provide misleading results.
NASA Astrophysics Data System (ADS)
Endo, Kazunaka
2016-02-01
In the Auger electron spectra (AES) simulations, we define theoretical modified kinetic energies of AES in the density functional theory (DFT) calculations. The modified kinetic energies correspond to two final-state holes at the ground state and at the transition-state in DFT calculations, respectively. This method is applied to simulate Auger electron spectra (AES) of 2nd periodic atom (Li, Be, B, C, N, O, F)-involving substances (LiF, beryllium, boron, graphite, GaN, SiO2, PTFE) by deMon DFT calculations using the model molecules of the unit cell. Experimental KVV (valence band electrons can fill K-shell core holes or be emitted during KVV-type transitions) AES of the (Li, O) atoms in the substances agree considerably well with simulation of AES obtained with the maximum kinetic energies of the atoms, while, for AES of LiF, and PTFE substance, the experimental F KVV AES is almost in accordance with the spectra from the transitionstate kinetic energy calculations.
Zou, Jiaxiu; Peng, Xiaolan; Li, Miao; Xiong, Ying; Wang, Bing; Dong, Faqin; Wang, Bin
2017-03-01
In the present study, the electrochemical oxidation of real wastewaters discharged by textile industry was carried out using a boron-doped diamond (BDD) anode. The effect of operational variables, such as applied current density (20-100 mA·cm(-2)), NaCl concentration added to the real wastewaters (0-3 g·L(-1)), and pH value (2.0-10.0), on the kinetics of COD oxidation and on the energy consumption was carefully investigated. The obtained experimental results could be well matched with a proposed kinetic model, in which the indirect oxidation mediated by electrogenerated strong oxidants would be described through a pseudo-first-order kinetic constant k. Values of k exhibited a linear increase with increasing applied current density and decreasing pH value, and an exponential increase with NaCl concentration. Furthermore, high oxidation kinetics resulted in low specific energy consumption, but this conclusion was not suitable to the results obtained under different applied current density. Under the optimum operational conditions, it only took 3 h to complete remove the COD in the real textile wastewaters and the specific energy consumption could be as low as 11.12 kWh·kg(-1) COD. The obtained results, low energy consumption and short electrolysis time, allowed to conclude that the electrochemical oxidation based on BDD anodes would have practical industrial application for the treatment of real textile wastewater.
Employing Magnetic Levitation to Monitor Reaction Kinetics and Measure Activation Energy
ERIC Educational Resources Information Center
Benz, Lauren; Cesafsky, Karen E.; Le, Tran; Park, Aileen; Malicky, David
2012-01-01
This article describes a simple and inexpensive undergraduate-level kinetics experiment that uses magnetic levitation to monitor the progress and determine the activation energy of a condensation reaction on a polymeric solid support. The method employs a cuvette filled with a paramagnetic solution positioned between two strong magnets. The…
KINETIC ENERGY FROM SUPERNOVA FEEDBACK IN HIGH-RESOLUTION GALAXY SIMULATIONS
Simpson, Christine M.; Bryan, Greg L.; Ostriker, Jeremiah P.; Hummels, Cameron
2015-08-10
We describe a new method for adding a prescribed amount of kinetic energy to simulated gas modeled on a cartesian grid by directly altering grid cells’ mass and velocity in a distributed fashion. The method is explored in the context of supernova (SN) feedback in high-resolution (∼10 pc) hydrodynamic simulations of galaxy formation. Resolution dependence is a primary consideration in our application of the method, and simulations of isolated explosions (performed at different resolutions) motivate a resolution-dependent scaling for the injected fraction of kinetic energy that we apply in cosmological simulations of a 10{sup 9} M{sub ⊙} dwarf halo. We find that in high-density media (≳50 cm{sup −3}) with coarse resolution (≳4 pc per cell), results are sensitive to the initial kinetic energy fraction due to early and rapid cooling. In our galaxy simulations, the deposition of small amounts of SN energy in kinetic form (as little as 1%) has a dramatic impact on the evolution of the system, resulting in an order-of-magnitude suppression of stellar mass. The overall behavior of the galaxy in the two highest resolution simulations we perform appears to converge. We discuss the resulting distribution of stellar metallicities, an observable sensitive to galactic wind properties, and find that while the new method demonstrates increased agreement with observed systems, significant discrepancies remain, likely due to simplistic assumptions that neglect contributions from SNe Ia and stellar winds.
Kinetic Energy from Supernova Feedback in High-resolution Galaxy Simulations
NASA Astrophysics Data System (ADS)
Simpson, Christine M.; Bryan, Greg L.; Hummels, Cameron; Ostriker, Jeremiah P.
2015-08-01
We describe a new method for adding a prescribed amount of kinetic energy to simulated gas modeled on a cartesian grid by directly altering grid cells’ mass and velocity in a distributed fashion. The method is explored in the context of supernova (SN) feedback in high-resolution (˜10 pc) hydrodynamic simulations of galaxy formation. Resolution dependence is a primary consideration in our application of the method, and simulations of isolated explosions (performed at different resolutions) motivate a resolution-dependent scaling for the injected fraction of kinetic energy that we apply in cosmological simulations of a 109 M⊙ dwarf halo. We find that in high-density media (≳50 cm-3) with coarse resolution (≳4 pc per cell), results are sensitive to the initial kinetic energy fraction due to early and rapid cooling. In our galaxy simulations, the deposition of small amounts of SN energy in kinetic form (as little as 1%) has a dramatic impact on the evolution of the system, resulting in an order-of-magnitude suppression of stellar mass. The overall behavior of the galaxy in the two highest resolution simulations we perform appears to converge. We discuss the resulting distribution of stellar metallicities, an observable sensitive to galactic wind properties, and find that while the new method demonstrates increased agreement with observed systems, significant discrepancies remain, likely due to simplistic assumptions that neglect contributions from SNe Ia and stellar winds.
NASA Technical Reports Server (NTRS)
Liu, Xiao-Feng; Thomas, Flint O.; Nelson, Robert C.
2001-01-01
Turbulence kinetic energy (TKE) is a very important quantity for turbulence modeling and the budget of this quantity in its transport equation can provide insight into the flow physics. Turbulence kinetic energy budget measurements were conducted for a symmetric turbulent wake flow subjected to constant zero, favorable and adverse pressure gradients in year-three of research effort. The purpose of this study is to clarify the flow physics issues underlying the demonstrated influence of pressure gradient on wake development and provide experimental support for turbulence modeling. To ensure the reliability of these notoriously difficult measurements, the experimental procedure was carefully designed on the basis of an uncertainty analysis. Four different approaches, based on an isotropic turbulence assumption, a locally axisymmetric homogeneous turbulence assumption, a semi-isotropy assumption and a forced balance of the TKE equation, were applied for the estimate of the dissipation term. The pressure transport term is obtained from a forced balance of the turbulence kinetic energy equation. This report will present the results of the turbulence kinetic energy budget measurement and discuss their implication on the development of strained turbulent wakes.
A kinetic analysis of strand breaks on large DNA induced by cigarette smoke extract
NASA Astrophysics Data System (ADS)
Kurita, Hirofumi; Takata, Tatsuya; Yasuda, Hachiro; Takashima, Kazunori; Mizuno, Akira
2010-06-01
We report a kinetic analysis of strand breakages on large DNA molecules induced by cigarette smoke extract (CSE), an extract of soluble cigarette smoke components. Previously, this DNA damage was analyzed by agarose gel electrophoresis, whereas we used fluorescence to kinetically analyze damage to individual DNA molecules. CSE caused a marked change in length of DNA molecules. The rate of CSE-induced double-strand breakage on large random-coiled DNA molecules was determined using a simple theoretical model, allowing the facile estimation of the rate of double-strand breaks on large DNA molecules.
Statistical evaporation of rotating clusters. I. Kinetic energy released
NASA Astrophysics Data System (ADS)
Calvo, F.; Parneix, P.
2003-07-01
Unimolecular evaporation in rotating atomic clusters is investigated using phase space theory (PST) and molecular dynamics simulations. The rotational densities of states are calculated in the sphere+atom approximation, and analytical expressions are given for a radial interaction potential with the form -C/rp. The vibrational densities of states are calculated using Monte Carlo simulations, and the average radial potential at finite temperature is obtained using a recent extension of the multiple range random-walk algorithm. These ideas are tested on simple argon clusters modeled with the Lennard-Jones interaction potential, at several excitation energies and angular momenta of the parent cluster. Our results show that PST successfully reproduces the simulation data, not only the average KER but its probability distribution, for dissociations from LJ14, for which the product cluster can effectively be considered as spherical. Even for dissociations from the nonspherical LJ8, simulation results remain very close to the predictions of the statistical theory.
The Control Based on Internal Average Kinetic Energy in Complex Environment for Multi-robot System
NASA Astrophysics Data System (ADS)
Yang, Mao; Tian, Yantao; Yin, Xianghua
In this paper, reference trajectory is designed according to minimum energy consumed for multi-robot system, which nonlinear programming and cubic spline interpolation are adopted. The control strategy is composed of two levels, which lower-level is simple PD control and the upper-level is based on the internal average kinetic energy for multi-robot system in the complex environment with velocity damping. Simulation tests verify the effectiveness of this control strategy.
Ehst, D.A.; Hassanein, A.
1996-02-01
Ablation damage to solid targets with high heat flux impulses is generally greater high-energy electron beam heat sources compared to low-energy plasma guns. This sensitivity to incoming particle kinetic energy is explored with computer modelling; a fast-running routine (DESIRE) is developed for initial scoping analysis and is found to be in reasonable agreement with several experiments on graphite and tungsten targets. If tokamak disruptions are characterized by particle energies less than {approximately}1 keV, then we expect plasma guns are a better analogue than electron beams for simulating disruption behavior and testing candidate plasma-facing materials.
Including the relativistic kinetic energy in a spline-augmented plane-wave band calculation
Fehrenbach, G.M.; Schmidt, G.
1997-03-01
The first-order relativistic correction to the kinetic energy of an electron, the mass-velocity term, is not bounded from below. It can, therefore, not be used within a variational framework. To overcome this deficiency we developed a method to include the entire relativistic kinetic energy {radical}(p{sup 2}c{sup 2}+m{sub 0}{sup 2}c{sup 4}){minus}m{sub 0}c{sup 2} in a spline-augmented plane-wave band calculation. The first results for silver are quite promising, especially for d and p states: The analysis of the energies of the core states as well as of the valence band structure suggests that the energies of d bands are reproduced within 1 mRy. However, the combination of the relativistic kinetic energy with the Darwin term leads to energies which are too low for s-like valence states by 10 mRy. Therefore, the s and d valence band complex is spread out and the Fermi level is lowered by the same amount as the s states. We expect to overcome these deficiencies in future investigations by using a alternative form of the relativistic potential correction along the lines proposed by Douglas and Kroll. {copyright} {ital 1997} {ital The American Physical Society}
Turbulent Kinetic Energy in the Oklahoma City Urban Environment
Lundquist, J; Leach, M; Gouveia, F
2004-06-24
A major field experiment, Joint URBAN 2003 (JU2003), was conducted in Oklahoma City in July 2003 to collect meteorological and tracer data sets for evaluating dispersion models in urban areas. The Department of Homeland Security and the Defense Threat Reduction Agency were the primary sponsors of JU2003. Investigators from five Department of Energy national laboratories, several other government agencies, universities, private companies, and international agencies conducted the experiment. Observations to characterize the meteorology in and around the urban area complemented the observation of the dispersion of SF6, an inert tracer gas. Over one hundred threedimensional sonic anemometers were deployed in and around the urban area to monitor wind speed, direction, and turbulence fluxes during releases of SF6. Sonic deployment locations included a profile of eight sonic anemometers mounted on a crane less than 1 km north of the central business district (CBD). Using data from these and other sonic anemometers deployed in the urban area, we can quantify the effect of the urban area on atmospheric turbulence and compare results seen in OKC to those in other urban areas to assess the parameters typically used in parameterizations of urban turbulence.
NASA Astrophysics Data System (ADS)
Pasca, H.; Andreev, A. V.; Adamian, G. G.; Antonenko, N. V.; Kim, Y.
2016-05-01
The mass, charge, isotopic, and kinetic-energy distributions of fission fragments are studied within an improved scission-point statistical model in the reactions 235U+n and 239Pu+n at different energies of the incident neutron. The charge and mass distributions of the electromagnetic- and neutron-induced fission of 214,218Ra, 230,232,238U are also shown. The available experimental data are well reproduced and the energy-dependencies of the observable characteristics of fission are predicted for future experiments.
Levin, J D; Ting-Beall, H P; Hochmuth, R M
2001-01-01
Many human diseases are mediated through the immune system. In chronic inflammatory disorders, the processes ordinarily involved in tissue healing become destructive. Endothelial cells normally recruit leukocytes to inflamed tissue using cytokine-induced adhesion receptors on the surfaces of interacting cells. Leukocyte capture depends on specialized characteristics of these receptors, particularly the binding kinetics. This study is designed to clarify the relationship between cytokine-induced changes in cell properties and binding kinetics. Here, we measure the kinetics of expression and monoclonal antibody binding for E-selectin in interleukin-1alpha-stimulated microvascular endothelium in vitro and incorporate the data into kinetic models. Quantitative flow cytometry is used to determine molecular density (expression), and micropipette assays are used to find the probability of adhesion (function). Within five hours of interleukin-1alpha stimulation, E-selectin density increases from 0 to 742 sites/microm(2), and antibody-E-selectin adhesion probability increases from a baseline of 6.3% to 64%. A kinetic model is applied to find an apparent association rate constant, k(f), of 3.7 x 10(-14) cm(2)/sec for antibody-E-selectin binding. Although the model successfully predicts experimental results, the rate constant is undervalued for a diffusion-limited process, suggesting that functional adhesion may be modified through cytokine-induced changes in microtopology and receptor localization. PMID:11159434
Effect of Self-generated Radial Electric Field on Internal Collapse induced by m=1 Kinetic Kink Mode
NASA Astrophysics Data System (ADS)
Matsumoto, Taro; Tokuda, Shinji; Kishimoto, Yasuaki; Takizuka, Tomonori; Naitou, Hiroshi
1998-11-01
Effect of Self-generated Radial Electric Field on Internal Collapse induced by m=1 Kinetic Kink Mode Matsumoto Taro, Tokuda Shinji, Kishimoto Yasuaki, Takizuka Tomonori Naka Fusion Research Establishment, Japan Atomic Energy Research Institute, Japan and Naitou Hiroshi Department of Electrical and Electronic Engineering, Yamaguchi University, Japan The density gradient effect is taken into account in the gyro-kinetic nonlinear simulation of the kinetic m=1 internal kink mode in a cylindrical plasma. Even when the density gradient is not so large enough to change the process of the full reconnection, the process of the post-reconnection phase is changed considerably due to the self-generated radial electric field, i.e. m/n = 0/0 mode induced by the nonlinear interaction. The radial electric field grows to the same level as the 1/1 mode, and drives a ExB plasma rotation in the ion diamagnetic direction. The density and current distribution, and therefore q-min value after the full reconnection, are found to be significantly affected by the rotation.
Distinctive features of kinetics of plasma at high specific energy deposition
NASA Astrophysics Data System (ADS)
Lepikhin, Nikita; Popov, Nikolay; Starikovskaia, Svetlana
2016-09-01
A nanosecond capillary discharge in pure nitrogen at moderate pressures is used as an experimental tool for plasma kinetics studies at conditions of high specific deposited energy up to 1 eV/molecule. Experimental observations based on electrical (back current shunts, capacitive probe) and spectroscopic measurements (quenching rates; translational, rotational and vibrational temperature measurements) demonstrate that high specific deposited energy, at electric fields of 200-300 Td, can significantly change gas kinetics in the discharge and in the afterglow. The numerical calculations in 1D axially symmetric geometry using experimental data as input parameters show that changes in the plasma kinetics are caused by extremely high excitation degree: up to 10% of molecular nitrogen is electronically excited at present conditions. Distinctive features of kinetics of plasma at high specific energy deposition as well as details of the experimental technique and numerical calculations will be present. The work was partially supported by French National Agency, ANR (PLASMAFLAME Project, 2011 BS09 025 01), AOARD AFOSR, FA2386-13-1-4064 grant (Program Officer Prof. Chiping Li), LabEx Plas@Par and Linked International Laboratory LIA KaPPA (France-Russia).
NASA Astrophysics Data System (ADS)
Jeon, Jonggu; Cho, Minhaeng
2011-12-01
The vibrational energy transfer from the excited carbonyl stretch mode in N-deuterated N-methylacetamide (NMA-d), both in isolation and in a heavy water cluster, is studied with nonequilibrium molecular dynamics (NEMD) simulations, employing a quantum mechanical/molecular mechanical (QM/MM) force field at the semiempirical PM3 level. The nonequilibrium ensemble of vibrationally excited NMA-d is prepared by perturbing the positions and velocities of the carbonyl C and O atoms and its NEMD trajectories are obtained with a leap-frog algorithm properly modified for the initial perturbation. In addition to the time-domain analysis of the kinetic and potential energies, a novel method for the spectral analysis of the atomic kinetic energies is developed, in terms of the spectral density of kinetic energy, which provides the time-dependent changes of the frequency-resolved kinetic energies without the complications of normal mode analysis at every MD time step. Due to the QM description of the solute electronic structure, the couplings among the normal modes are captured more realistically than with classical force fields. The energy transfer in the isolated NMA-d is found to proceed first from the carbonyl bond to other modes with time scales of 3 ps or less, and then among the other modes over 3-21 ps. In the solvated NMA-d, most of the excess energy is first transferred to other intramolecular modes within 5 ps, which is subsequently dissipated to solvent with 7-19 ps time scales. The contribution of the direct energy transfer from the carbonyl bond to solvent was only 5% with ˜7 ps time scale. Solvent reorganization that leads to destabilization of the electrostatic interactions is found to be crucial in the long time relaxation of the excess energy, while the water intramolecular modes do not contribute significantly. Detailed mode-specific energy transfer pathways are deduced for the isolated and solvated NMA-d and they show that the energy transfer in NMA-d is a
Jeon, Jonggu; Cho, Minhaeng
2011-12-07
The vibrational energy transfer from the excited carbonyl stretch mode in N-deuterated N-methylacetamide (NMA-d), both in isolation and in a heavy water cluster, is studied with nonequilibrium molecular dynamics (NEMD) simulations, employing a quantum mechanical/molecular mechanical (QM∕MM) force field at the semiempirical PM3 level. The nonequilibrium ensemble of vibrationally excited NMA-d is prepared by perturbing the positions and velocities of the carbonyl C and O atoms and its NEMD trajectories are obtained with a leap-frog algorithm properly modified for the initial perturbation. In addition to the time-domain analysis of the kinetic and potential energies, a novel method for the spectral analysis of the atomic kinetic energies is developed, in terms of the spectral density of kinetic energy, which provides the time-dependent changes of the frequency-resolved kinetic energies without the complications of normal mode analysis at every MD time step. Due to the QM description of the solute electronic structure, the couplings among the normal modes are captured more realistically than with classical force fields. The energy transfer in the isolated NMA-d is found to proceed first from the carbonyl bond to other modes with time scales of 3 ps or less, and then among the other modes over 3-21 ps. In the solvated NMA-d, most of the excess energy is first transferred to other intramolecular modes within 5 ps, which is subsequently dissipated to solvent with 7-19 ps time scales. The contribution of the direct energy transfer from the carbonyl bond to solvent was only 5% with ~7 ps time scale. Solvent reorganization that leads to destabilization of the electrostatic interactions is found to be crucial in the long time relaxation of the excess energy, while the water intramolecular modes do not contribute significantly. Detailed mode-specific energy transfer pathways are deduced for the isolated and solvated NMA-d and they show that the energy transfer in NMA-d is a
Robiche, J.; Rax, J.-M.; Bonnaud, G.; Gremillet, L.
2010-03-15
The collisional dynamics of a relativistic electron jet in a magnetized plasma are investigated within the framework of kinetic theory. The relativistic Fokker-Planck equation describing slowing down, pitch angle scattering, and cyclotron rotation is derived and solved. Based on the solution of this Fokker-Planck equation, an analytical formula for the root mean square spot size transverse to the magnetic field is derived and this result predicts a reduction in radial transport. Some comparisons with particle-in-cell simulation are made and confirm striking agreement between the theory and the simulation. For fast electron with 1 MeV typical kinetic energy interacting with a solid density hydrogen plasma, the energy deposition density in the transverse direction increases by a factor 2 for magnetic field of the order of 1 T. Along the magnetic field, the energy deposition profile is unaltered compared with the field-free case.
Kinetic Energy of Hydrocarbons as a Function of Electron Density and Convolutional Neural Networks.
Yao, Kun; Parkhill, John
2016-03-08
We demonstrate a convolutional neural network trained to reproduce the Kohn-Sham kinetic energy of hydrocarbons from an input electron density. The output of the network is used as a nonlocal correction to conventional local and semilocal kinetic functionals. We show that this approximation qualitatively reproduces Kohn-Sham potential energy surfaces when used with conventional exchange correlation functionals. The density which minimizes the total energy given by the functional is examined in detail. We identify several avenues to improve on this exploratory work, by reducing numerical noise and changing the structure of our functional. Finally we examine the features in the density learned by the neural network to anticipate the prospects of generalizing these models.
Buoyant production and consumption of turbulence kinetic energy in cloud-topped mixed layers
NASA Technical Reports Server (NTRS)
Randall, D. A.
1984-01-01
It is pointed out that studies of the entraining planetary boundary layer (PBL) have generally emphasized the role of buoyancy fluxes in driving entrainment. The buoyancy flux is proportional to the rate of conversion of the potential energy of the mean flow into the kinetic energy of the turbulence. It is not unusual for conversion to proceed in both directions simultaneously. This occurs, for instance, in both clear and cloudy convective mixed layers which are capped by inversions. A partitioning of the net conversion into positive parts, generating turbulence kinetic energy (TKE), and negative parts (TKE-consuming), would make it possible to include the positive part in the gross production rate, and closure would be achieved. Three different approaches to partitioning have been proposed. The present investigation is concerned with a comparison of the three partitioning theories. Particular attention is given to the cloud-topped mixed layer because in this case the differences between two partitioning approaches are most apparent.
NASA Astrophysics Data System (ADS)
Wang, Y. Y.; Grygiel, C.; Dufour, C.; Sun, J. R.; Wang, Z. G.; Zhao, Y. T.; Xiao, G. Q.; Cheng, R.; Zhou, X. M.; Ren, J. R.; Liu, S. D.; Lei, Y.; Sun, Y. B.; Ritter, R.; Gruber, E.; Cassimi, A.; Monnet, I.; Bouffard, S.; Aumayr, F.; Toulemonde, M.
2014-07-01
Modification of surface and bulk properties of solids by irradiation with ion beams is a widely used technique with many applications in material science. In this study, we show that nano-hillocks on CaF2 crystal surfaces can be formed by individual impact of medium energy (3 and 5 MeV) highly charged ions (Xe22+ to Xe30+) as well as swift (kinetic energies between 12 and 58 MeV) heavy xenon ions. For very slow highly charged ions the appearance of hillocks is known to be linked to a threshold in potential energy (Ep) while for swift heavy ions a minimum electronic energy loss per unit length (Se) is necessary. With our results we bridge the gap between these two extreme cases and demonstrate, that with increasing energy deposition via Se the Ep-threshold for hillock production can be lowered substantially. Surprisingly, both mechanisms of energy deposition in the target surface seem to contribute in an additive way, which can be visualized in a phase diagram. We show that the inelastic thermal spike model, originally developed to describe such material modifications for swift heavy ions, can be extended to the case where both kinetic and potential energies are deposited into the surface.
Wang, Y Y; Grygiel, C; Dufour, C; Sun, J R; Wang, Z G; Zhao, Y T; Xiao, G Q; Cheng, R; Zhou, X M; Ren, J R; Liu, S D; Lei, Y; Sun, Y B; Ritter, R; Gruber, E; Cassimi, A; Monnet, I; Bouffard, S; Aumayr, F; Toulemonde, M
2014-07-18
Modification of surface and bulk properties of solids by irradiation with ion beams is a widely used technique with many applications in material science. In this study, we show that nano-hillocks on CaF2 crystal surfaces can be formed by individual impact of medium energy (3 and 5 MeV) highly charged ions (Xe(22+) to Xe(30+)) as well as swift (kinetic energies between 12 and 58 MeV) heavy xenon ions. For very slow highly charged ions the appearance of hillocks is known to be linked to a threshold in potential energy (Ep) while for swift heavy ions a minimum electronic energy loss per unit length (Se) is necessary. With our results we bridge the gap between these two extreme cases and demonstrate, that with increasing energy deposition via Se the Ep-threshold for hillock production can be lowered substantially. Surprisingly, both mechanisms of energy deposition in the target surface seem to contribute in an additive way, which can be visualized in a phase diagram. We show that the inelastic thermal spike model, originally developed to describe such material modifications for swift heavy ions, can be extended to the case where both kinetic and potential energies are deposited into the surface.
Rock Cutting Depth Model Based on Kinetic Energy of Abrasive Waterjet
NASA Astrophysics Data System (ADS)
Oh, Tae-Min; Cho, Gye-Chun
2016-03-01
Abrasive waterjets are widely used in the fields of civil and mechanical engineering for cutting a great variety of hard materials including rocks, metals, and other materials. Cutting depth is an important index to estimate operating time and cost, but it is very difficult to predict because there are a number of influential variables (e.g., energy, geometry, material, and nozzle system parameters). In this study, the cutting depth is correlated to the maximum kinetic energy expressed in terms of energy (i.e., water pressure, water flow rate, abrasive feed rate, and traverse speed), geometry (i.e., standoff distance), material (i.e., α and β), and nozzle system parameters (i.e., nozzle size, shape, and jet diffusion level). The maximum kinetic energy cutting depth model is verified with experimental test data that are obtained using one type of hard granite specimen for various parameters. The results show a unique curve for a specific rock type in a power function between cutting depth and maximum kinetic energy. The cutting depth model developed here can be very useful for estimating the process time when cutting rock using an abrasive waterjet.
Electron scattering as a tool to study zero-point kinetic energies of atoms in molecules
NASA Astrophysics Data System (ADS)
Moreh, R.; Finkelstein, Y.; Vos, M.
2015-07-01
High resolution electron compton scattering (ECS) is being used to study the atomic momentum distributions and hence the zero-point kinetic energies (ZPKE) of the scattering atoms. Such studies have shown that the scattering is from a single atom of the scattering sample. For an electron beam with a well defined incident energy, the scattered electron energy at any angle from each atomic species is Doppler broadened. The broadening reflects the atomic momentum distribution contributed by both the internal and external motions of the molecular system. By measuring the Doppler broadening of the scattered electron lines it was possible to determine the kinetic energy of the scattering atom including that of its zero-point motion. Thus, the atomic kinetic energies in gases such as H2, D2, HD, CH4 and in H2O, D2O and NH3 were measured and compared with those calculated semi-empirically using the measured optical infra red (IR) and Raman frequencies of the internal vibrations of the molecules. In general, good agreement between the measured and calculated values was found. Electron scattering was also used to study the ratio of e-scattering intensities from the H- and O-atoms in water (H2O), where some anomalies were reported to exist.
Kinetic energy of throughfall in a highly diverse forest ecosystem in the humid subtropics
NASA Astrophysics Data System (ADS)
Geißler, Christian; Kühn, Peter; Scholten, Thomas
2010-05-01
After decades of research it is generally accepted that vegetation is a key factor in controlling soil erosion. Therefore, in ecosystems where erosion is a serious problem, afforestation is a common measure against erosion. Most of the studies in the last decades focused on agricultural systems and less attention was paid to natural systems. To understand the mechanisms preventing soil erosion in natural systems the processes have to be studied in detail and gradually. The first step and central research question is on how the canopies of the tree layer alter the properties of rainfall and generate throughfall. Kinetic energy is a widely used parameter to estimate the erosion potential of open field rainfall and throughfall. In the past, numerous studies have shown that vegetation of a certain height enhances the kinetic energy under the canopy (Chapman 1948, Mosley 1982, Vis 1986, Hall & Calder 1993, Nanko et al. 2006, Nanko et al. 2008) in relation to open field rainfall. This is mainly due to a shift in the drop size distribution to less but larger drops possessing a higher amount of kinetic energy. In vital forest ecosystems lower vegetation (shrubs, herbs) as well as a continuous litter layer protects the forest soil from the impact of large drops. The influence of biodiversity, specific forest stands or single species in this process system is still in discussion. In the present study calibrated splash cups (after Ellison 1947, Geißler et al. under review) have been used to detect differences in kinetic energy on the scale of specific species and on the scale of forest stands of contrasting age and biodiversity in a natural forest ecosystem. The splash cups have been calibrated experimentally using a laser disdrometer. The results show that the kinetic energy of throughfall produced by the tree layer increases with the age of the specific forest stand. The average throughfall kinetic energy (J m-2) is about 2.6 times higher in forests than under open field
Statistical model of a flexible inextensible polymer chain: The effect of kinetic energy
NASA Astrophysics Data System (ADS)
Pergamenshchik, V. M.; Vozniak, A. B.
2017-01-01
Because of the holonomic constraints, the kinetic energy contribution in the partition function of an inextensible polymer chain is difficult to find, and it has been systematically ignored. We present the first thermodynamic calculation incorporating the kinetic energy of an inextensible polymer chain with the bending energy. To explore the effect of the translation-rotation degrees of freedom, we propose and solve a statistical model of a fully flexible chain of N +1 linked beads which, in the limit of smooth bending, is equivalent to the well-known wormlike chain model. The partition function with the kinetic and bending energies and correlations between orientations of any pair of links and velocities of any pair of beads are found. This solution is precise in the limits of small and large rigidity-to-temperature ratio b /T . The last exact solution is essential as even very "harmless" approximation results in loss of the important effects when the chain is very rigid. For very high b /T , the orientations of different links become fully correlated. Nevertheless, the chain does not go over into a hard rod even in the limit b /T →∞ : While the velocity correlation length diverges, the correlations themselves remain weak and tend to the value ∝T /(N +1 ). The N dependence of the partition function is essentially determined by the kinetic energy contribution. We demonstrate that to obtain the correct energy and entropy in a constrained system, the T derivative of the partition function has to be applied before integration over the constraint-setting variable.
Statistical model of a flexible inextensible polymer chain: The effect of kinetic energy.
Pergamenshchik, V M; Vozniak, A B
2017-01-01
Because of the holonomic constraints, the kinetic energy contribution in the partition function of an inextensible polymer chain is difficult to find, and it has been systematically ignored. We present the first thermodynamic calculation incorporating the kinetic energy of an inextensible polymer chain with the bending energy. To explore the effect of the translation-rotation degrees of freedom, we propose and solve a statistical model of a fully flexible chain of N+1 linked beads which, in the limit of smooth bending, is equivalent to the well-known wormlike chain model. The partition function with the kinetic and bending energies and correlations between orientations of any pair of links and velocities of any pair of beads are found. This solution is precise in the limits of small and large rigidity-to-temperature ratio b/T. The last exact solution is essential as even very "harmless" approximation results in loss of the important effects when the chain is very rigid. For very high b/T, the orientations of different links become fully correlated. Nevertheless, the chain does not go over into a hard rod even in the limit b/T→∞: While the velocity correlation length diverges, the correlations themselves remain weak and tend to the value ∝T/(N+1). The N dependence of the partition function is essentially determined by the kinetic energy contribution. We demonstrate that to obtain the correct energy and entropy in a constrained system, the T derivative of the partition function has to be applied before integration over the constraint-setting variable.
Proton kinetic effects and turbulent energy cascade rate in the solar wind.
Osman, K T; Matthaeus, W H; Kiyani, K H; Hnat, B; Chapman, S C
2013-11-15
The first observed connection between kinetic instabilities driven by proton temperature anisotropy and estimated energy cascade rates in the turbulent solar wind is reported using measurements from the Wind spacecraft at 1 AU. We find enhanced cascade rates are concentrated along the boundaries of the (β∥, T⊥/T∥) plane, which includes regions theoretically unstable to the mirror and firehose instabilities. A strong correlation is observed between the estimated cascade rate and kinetic effects such as temperature anisotropy and plasma heating, resulting in protons 5-6 times hotter and 70%-90% more anisotropic than under typical isotropic plasma conditions. These results offer new insights into kinetic processes in a turbulent regime.
Proton Kinetic Effects and Turbulent Energy Cascade Rate in the Solar Wind
NASA Astrophysics Data System (ADS)
Osman, K. T.; Matthaeus, W. H.; Kiyani, K. H.; Hnat, B.; Chapman, S. C.
2013-11-01
The first observed connection between kinetic instabilities driven by proton temperature anisotropy and estimated energy cascade rates in the turbulent solar wind is reported using measurements from the Wind spacecraft at 1 AU. We find enhanced cascade rates are concentrated along the boundaries of the (β∥, T⊥/T∥) plane, which includes regions theoretically unstable to the mirror and firehose instabilities. A strong correlation is observed between the estimated cascade rate and kinetic effects such as temperature anisotropy and plasma heating, resulting in protons 5-6 times hotter and 70%-90% more anisotropic than under typical isotropic plasma conditions. These results offer new insights into kinetic processes in a turbulent regime.
Proton Kinetic Effects and Turbulent Energy Cascade Rate in the Solar Wind
NASA Astrophysics Data System (ADS)
Osman, K.; Matthaeus, W. H.; Kiyani, K. H.; Hnat, B.; Chapman, S. C.
2013-12-01
The first observed connection between kinetic instabilities driven by proton temperature anisotropy and estimated energy cascade rates in the turbulent solar wind is reported using measurements from the Wind spacecraft at 1 AU. We find enhanced cascade rates are concentrated along the boundaries of the (β‖,T⊥/T‖)-plane, which includes regions theoretically unstable to the mirror and firehose instabilities. A strong correlation is observed between the estimated cascade rates and kinetic effects such as temperature anisotropy and plasma heating, resulting in protons 5-6 times hotter and 70-90% more anisotropic than under typical isotropic plasma conditions. These results offer new insights into kinetic processes in a turbulent regime.
Induced innovation, energy prices, and the environment
NASA Astrophysics Data System (ADS)
Popp, David Clifford
The process of developing new technologies is a central question for economic theory as well as for public policy in many areas. For example, the development of cleaner, more efficient energy technologies will play an important role in reducing the threat of global warming. To study how technology evolves over time, this dissertation uses patent data on energy innovations from 1970 to 1991 to examine the impact of energy prices on energy-efficient innovations. Before this can be done, however, information on supply-side factors which influence innovation is also needed. In the case of innovation, supply-side factors are the usefulness of the existing base of scientific knowledge. Patent citations are used for this purpose. Subsequent citations to patents granted each year since 1970 are used to show that the returns to research and development (R&D) fall over time for most of the technologies studied. These estimates are then combined with data on demand-side factors, such as energy prices, to estimate a model of induced innovation in energy technologies. Both energy prices and the supply of knowledge are found to have strongly significant positive effects on innovation. Next, the Yale Technology Concordance (YTC), which maps patents to the industries in which they are used, is employed to construct a stock of energy-related knowledge for 14 energy intensive industries. The effect of changes in this stock on energy consumption in these industries is estimated. On average, the present value of energy savings resulting from a new patent is eight million dollars, with the maximum savings coming about five years after the initial patent application. Finally, the results of each regression are combined to simulate the impact of a ten percent energy tax. Initially, simple factor substitution due to the price change has the largest effect. However, because of the cumulative nature of R&D, induced innovation has a much larger effect than factor substitution in the long run
Effects of crystal-melt interfacial energy anisotropy on dendritic morphology and growth kinetics
NASA Technical Reports Server (NTRS)
Glicksman, M. E.; Singh, N. B.
1989-01-01
Morphological and kinetic studies of succinonitrile, a BCC crystal with a low (0.5 percent) anisotropy and pivalic acid, and FCC crystal with relatively large (5 percent) anisotropy in solid-liquid interfacial energy, show clearly that anisotropy in the solid-liquid interfacial energy does not affect the tip radius-velocity relationship, but has a profound influence on the tip region and the rate of amplification of branching waves. Anisotropy of the solid-liquid interfacial energy may be one of the key factors by which the microstructural characteristics of cast structures reflect individual material behavior, especially crystal symmetry.
Scale-to-scale energy transfer in mixing flow induced by the Richtmyer-Meshkov instability.
Liu, Han; Xiao, Zuoli
2016-05-01
The Richtmyer-Meshkov instability (RMI) mixing flow induced by a planar shock wave of Mach 1.6 is investigated using direct numerical simulation method. Interfacial perturbations of different scales between air and sulfur hexafluoride are introduced to study the effect of the initial conditions. Focus is placed on the analysis of the scale-to-scale transfer of kinetic energy in both Fourier and physical spaces. The kinetic energy injected from the perturbation scales is transferred to both larger and smaller scales in an average sense within the inner mixing zone (IMZ) at early times and is mainly passed down into smaller scales at the late stage. The physical-space energy flux due to the subgrid-scale (SGS) stress is studied using a filtering approach in order to shed light on the physical origin of the scale-to-scale kinetic energy transfer. It is found that the pointwise SGS energy flux is highly correlated with the local spike and bubble structures in the IMZ. Moreover, it turns out that the mean SGS energy flux is mainly ascribed to the component in the direction of shock wave propagation. An analysis using the method of conditional averaging manifests that the generation of local SGS energy flux is associated with the property of the surrounding flow induced by quadrupolar or dipolar vortex structures.
Chattoraj, Sayantan; Bhugra, Chandan; Li, Zheng Jane; Sun, Changquan Calvin
2014-12-01
The nonisothermal crystallization kinetics of amorphous materials is routinely analyzed by statistically fitting the crystallization data to kinetic models. In this work, we systematically evaluate how the model-dependent crystallization kinetics is impacted by variations in the heating rate and the selection of the kinetic model, two key factors that can lead to significant differences in the crystallization activation energy (Ea ) of an amorphous material. Using amorphous felodipine, we show that the Ea decreases with increase in the heating rate, irrespective of the kinetic model evaluated in this work. The model that best describes the crystallization phenomenon cannot be identified readily through the statistical fitting approach because several kinetic models yield comparable R(2) . Here, we propose an alternate paired model-fitting model-free (PMFMF) approach for identifying the most suitable kinetic model, where Ea obtained from model-dependent kinetics is compared with those obtained from model-free kinetics. The most suitable kinetic model is identified as the one that yields Ea values comparable with the model-free kinetics. Through this PMFMF approach, nucleation and growth is identified as the main mechanism that controls the crystallization kinetics of felodipine. Using this PMFMF approach, we further demonstrate that crystallization mechanism from amorphous phase varies with heating rate.
Strobusch, D; Scheurer, Ch
2011-09-28
A new hierarchical expansion of the kinetic energy operator in curvilinear coordinates is presented and modified vibrational self-consistent field (VSCF) equations are derived including all kinematic effects within the mean field approximation. The new concept for the kinetic energy operator is based on many-body expansions for all G matrix elements and its determinant. As a test application VSCF computations were performed on the H(2)O(2) molecule using an analytic potential (PCPSDE) and different hierarchical approximations for the kinetic energy operator. The results indicate that coordinate-dependent reduced masses account for the largest part of the kinetic energy. Neither kinematic couplings nor derivatives of the G matrix nor its determinant had significant effects on the VSCF energies. Only the zero-point value of the pseudopotential yields an offset to absolute energies which, however, is irrelevant for spectroscopic problems.
Theory and simulation of discrete kinetic beta induced Alfvén eigenmode in tokamak plasmas
NASA Astrophysics Data System (ADS)
Wang, X.; Zonca, F.; Chen, L.
2010-11-01
It is shown, both analytically and by numerical simulations, that, in the presence of thermal ion kinetic effects, the beta induced Alfvén eigenmode (BAE)-shear Alfvén wave continuous spectrum can be discretized into radially trapped eigenstates known as kinetic BAE (KBAE). While thermal ion compressibility gives rise to finite BAE accumulation point frequency, the discretization occurs via the finite Larmor radius and finite orbit width effects. Simulations and analytical theories agree both qualitatively and quantitatively. Simulations also demonstrate that KBAE can be readily excited by the finite radial gradients of energetic particles.
Wave-particle energy exchange directly observed in a kinetic Alfvén-branch wave
NASA Astrophysics Data System (ADS)
Gershman, Daniel J.; F-Viñas, Adolfo; Dorelli, John C.; Boardsen, Scott A.; Avanov, Levon A.; Bellan, Paul M.; Schwartz, Steven J.; Lavraud, Benoit; Coffey, Victoria N.; Chandler, Michael O.; Saito, Yoshifumi; Paterson, William R.; Fuselier, Stephen A.; Ergun, Robert E.; Strangeway, Robert J.; Russell, Christopher T.; Giles, Barbara L.; Pollock, Craig J.; Torbert, Roy B.; Burch, James L.
2017-03-01
Alfvén waves are fundamental plasma wave modes that permeate the universe. At small kinetic scales, they provide a critical mechanism for the transfer of energy between electromagnetic fields and charged particles. These waves are important not only in planetary magnetospheres, heliospheres and astrophysical systems but also in laboratory plasma experiments and fusion reactors. Through measurement of charged particles and electromagnetic fields with NASA's Magnetospheric Multiscale (MMS) mission, we utilize Earth's magnetosphere as a plasma physics laboratory. Here we confirm the conservative energy exchange between the electromagnetic field fluctuations and the charged particles that comprise an undamped kinetic Alfvén wave. Electrons confined between adjacent wave peaks may have contributed to saturation of damping effects via nonlinear particle trapping. The investigation of these detailed wave dynamics has been unexplored territory in experimental plasma physics and is only recently enabled by high-resolution MMS observations.
Quantum oscillations in the kinetic energy density: Gradient corrections from the Airy gas
NASA Astrophysics Data System (ADS)
Lindmaa, Alexander; Mattsson, Ann E.; Armiento, Rickard
2014-03-01
We show how one can systematically derive exact quantum corrections to the kinetic energy density (KED) in the Thomas-Fermi (TF) limit of the Airy gas (AG). The resulting expression is of second order in the density variation and we demonstrate how it applies universally to a certain class of model systems in the slowly varying regime, for which the accuracy of the gradient corrections of the extended Thomas-Fermi (ETF) model is limited. In particular we study two kinds of related electronic edges, the Hermite gas (HG) and the Mathieu gas (MG), which are both relevant for discussing periodic systems. We also consider two systems with finite integer particle number, namely non-interacting electrons subject to harmonic confinement as well as the hydrogenic potential. Finally we discuss possible implications of our findings mainly related to the field of functional development of the local kinetic energy contribution.
Budget of Turbulent Kinetic Energy in a Shock Wave Boundary-Layer Interaction
NASA Technical Reports Server (NTRS)
Vyas, Manan A.; Waindim, Mbu; Gaitonde, Datta V.
2016-01-01
Implicit large-eddy simulation (ILES) of a shock wave/boundary-layer interaction (SBLI) was performed. Quantities present in the exact equation of the turbulent kinetic energy transport were accumulated and used to calculate terms like production, dissipation, molecular diffusion, and turbulent transport. The present results for a turbulent boundary layer were validated by comparison with direct numerical simulation data. It was found that a longer development domain was necessary for the boundary layer to reach an equilibrium state and a finer mesh resolution would improve the predictions. In spite of these findings, trends of the present budget match closely with that of the direct numerical simulation. Budgets for the SBLI region are presented at key axial stations. These budgets showed interesting dynamics as the incoming boundary layer transforms and the terms of the turbulent kinetic energy budget change behavior within the interaction region.
NASA Astrophysics Data System (ADS)
Zilletti, Michele; Elliott, Stephen J.; Rustighi, Emiliano
2012-08-01
The tuning of a dynamic vibration absorber is considered such that either the kinetic energy of the host structure is minimised or the power dissipation within the absorber is maximised. If the host structure is approximated as a damped single degree of freedom, the optimal values for the ratio of the absorber's natural frequency to the host structure and the optimal damping ratio of the absorber are shown to be the same whether the kinetic energy of the host structure is minimised or the power dissipation of the absorber is maximised. It is also demonstrated that the total power input into the system does not depend on the two parameters but only on the host structure's mass.
The onset of sediment transport in vegetated channels predicted by turbulent kinetic energy
NASA Astrophysics Data System (ADS)
Yang, J. Q.; Chung, H.; Nepf, H. M.
2016-11-01
This laboratory study advances our understanding of sediment transport in vegetated regions, by describing the impact of stem density on the critical velocity, Ucrit, at which sediment motion is initiated. Sparse emergent vegetation was modeled with rigid cylinders arranged in staggered arrays of different stem densities. The sediment transport rate, Qs, was measured over a range of current speeds using digital imaging, and the critical velocity was selected as the condition at which the magnitude of Qs crossed the noise threshold. For both grain sizes considered here (0.6-0.85 mm and 1.7-2 mm), Ucrit decreased with increasing stem density. This dependence can be explained by a threshold condition based on turbulent kinetic energy, kt, suggesting that near-bed turbulence intensity may be a more important control than bed shear stress on the initiation of sediment motion. The turbulent kinetic energy model unified the bare bed and vegetated channel measurements.
Pan, Jianjun; Khadka, Nawal K
2016-05-26
Quantitative characterization of membrane defects (pores) is important for elucidating the molecular basis of many membrane-active peptides. We study kinetic defects induced by melittin in vesicular and planar lipid bilayers. Fluorescence spectroscopy measurements indicate that melittin induces time-dependent calcein leakage. Solution atomic force microscopy (AFM) is used to visualize melittin-induced membrane defects. After initial equilibration, the most probable defect radius is ∼3.8 nm in 1,2-dilauroyl-sn-glycero-3-phosphocholine (DLPC) bilayers. Unexpectedly, defects become larger with longer incubation, accompanied by substantial shape transformation. The initial defect radius is ∼4.7 nm in 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) bilayers. Addition of 30 mol % cholesterol to DOPC bilayers suppresses defect kinetics, although the inhibitory impact is negated by longer incubation. Overall, the kinetic rate of defect development follows DLPC > DOPC > DOPC/cholesterol. Kinetic defects are also observed when anionic lipids are present. Based on the observation that defects can occupy as large as 40% of the bilayer surface, we propose a kinetic defect growth model. We also study the effect of melittin on the phase behavior of DOPC/egg-sphingomyelin/cholesterol bilayers. We find that melittin initially suppresses or eliminates liquid-ordered (Lo) domains; Lo domains gradually emerge and become the dominant species with longer incubation; and defects in phase-coexisting bilayers have a most probable radius of ∼5 nm and are exclusively localized in the liquid-disordered (Ld) phase. Our experimental data highlight that melittin-induced membrane defects are not static; conversely, spontaneous defect growth is intrinsically associated with membrane permeabilization exerted by melittin.
Eigenvalue spectrum of the independent-fermion kinetic-energy kernel
Joubert, D.
1996-09-01
The constrained minimization independent-fermion kinetic-energy kernel, {delta}{sup 2}{ital T}{sub {ital s}}[{rho}]/{delta}{rho}({bold r}){delta}{rho}({bold r}{sup {prime}}), has a zero mode for all {rho}({bold r}), while it is non-negative for {rho}({bold r}) noninteracting {ital v} representable. {copyright} {ital 1996 The American Physical Society.}
Budget of Turbulent Kinetic Energy in a Shock Wave Boundary-Layer Interaction
NASA Technical Reports Server (NTRS)
Vyas, Manan; Waindim, Mbu; Gaitonde, Datta
2016-01-01
Implicit large-eddy simulation (ILES) of a shock wave boundary-layer interaction (SBLI) was performed. Quantities present in the exact equation of the turbulent kinetic energy (TKE) transport were accumulated. These quantities will be used to calculate the components of TKE-like production, dissipation, transport, and dilatation. Correlations of these terms will be presented to study the growth and interaction between various terms. A comparison with its RANS (Reynolds-Averaged Navier-Stokes) counterpart will also be presented.
Intercomparison of the seasonal cycle in 200 hPa kinetic energy in AMIP GCM simulations
Boyle, J.S.
1996-10-01
The 200 hPa kinetic energy is represented by means of the spherical harmonic components for the Atmospheric Model Intercomparison Project (AMIP) simulations, the National Center for Environmental Prediction/National Center for Atmospheric Research (NCEP/NCAR) reanalysis and the European Centre for Medium Range Weather Forecast Reanalysis (ERA). The data used are the monthly mean wind fields from 1979 to 1988. The kinetic energy is decomposed into the divergent (DKE) and rotational (RKE) components and emphasis is placed on examining the former. The two reanalysis data sets show reasonable agreement that is best for the rotational kinetic energy. The largest difference in the divergent kinetic energy occurs during the northern summer. As might be expected, the two analyses are closet in regions where there are sufficient observations such that the effect of the model used in the assimilation cycle are minimized. The observed RKE show only a slight seasonal cycle with a maximum occuring during the northern winter. The DKE, on the other hand, has a very pronounced seasonal cycle with maxima at the solsticial seasons and minima during the equinoctial seasons. The model results show a very large spread in the magnitudes of the RKE and DKE although the models all evince a seasonal variation in phase with that observed. The median values of the seasonal cycle of RKE and DKE for the models are usually superior to those of any individual model. Results are also presented for simulation following the AMIP protocol but using updated versions of the original AMIP entries. In most cases these new integrations show better agreement with the observations.
Revisiting the density scaling of the non-interacting kinetic energy.
Borgoo, Alex; Teale, Andrew M; Tozer, David J
2014-07-28
Scaling relations play an important role in the understanding and development of approximate functionals in density functional theory. Recently, a number of these relationships have been redefined in terms of the Kohn-Sham orbitals [Calderín, Phys. Rev. A: At., Mol., Opt. Phys., 2013, 86, 032510]. For density scaling the author proposed a procedure involving a multiplicative scaling of the Kohn-Sham orbitals whilst keeping their occupation numbers fixed. In the present work, the differences between this scaling with fixed occupation numbers and that of previous studies, where the particle number change implied by the scaling was accommodated through the use of the grand canonical ensemble, are examined. We introduce the terms orbital and ensemble density scaling for these approaches, respectively. The natural ambiguity of the density scaling of the non-interacting kinetic energy functional is examined and the ancillary definitions implicit in each approach are highlighted and compared. As a consequence of these differences, Calderín recovered a homogeneity of degree 1 for the non-interacting kinetic energy functional under orbital scaling, contrasting recent work by the present authors [J. Chem. Phys., 2012, 136, 034101] where the functional was found to be inhomogeneous under ensemble density scaling. Furthermore, we show that the orbital scaling result follows directly from the linearity and the single-particle nature of the kinetic energy operator. The inhomogeneity of the non-interacting kinetic energy functional under ensemble density scaling can be quantified by defining an effective homogeneity. This quantity is shown to recover the homogeneity values for important approximate forms that are exact for limiting cases such as the uniform electron gas and one-electron systems. We argue that the ensemble density scaling provides more insight into the development of new functional forms.
Initiation and Modification of Reaction by Energy Addition: Kinetic and Transport Phenomena
1993-10-01
MODIFICATION OF REACTION BY ENERGY ADDITION: KINETIC AND TRANSPORT PHENOMENA by Francis E. Fendell and Mau-Song Chou Center for Propulsion Technology...TA - A2 L AUHOWAC - F49620-90-C-0070 Francis E. Fendell and Mau-Song Chou 7. PEMOS101IG ORGANIZATION NAME(S AND...a gaseous mixture is more pertinent for the supersonic-combustor applications of interest to the Air Force (compare Figs. 1 and 2) (Carrier, Fendell
Systematics of kinetic freeze-out properties in high energy collisions from STAR
NASA Astrophysics Data System (ADS)
Kumar, Lokesh
2014-11-01
The main aim of the RHIC Beam Energy Scan (BES) program is to explore the QCD phase diagram which includes search for a possible QCD critical point and the phase boundary between QGP and hadronic phase. We report the collision energy and centrality dependence of kinetic freeze-out properties from the measured mid-rapidity (| y | < 0.1) light hadrons (pions, kaons, protons and their anti-particles) for Au + Au collisions at the center-of-mass energy √{sNN} = 7.7 , 11.5 , 19.6 , 27 , and 39 GeV. The STAR detector, with a large uniform acceptance and excellent particle identification is used in the data collection and analysis. The kinetic freeze-out temperature Tkin and average collective velocity < β > parameters are extracted from blast-wave fits to the identified hadron spectra and systematically compared with the results from other collision energies including those at AGS, SPS and LHC. It is found that all results fall into an anti-correlation band in the 2-dimensional (Tkin, < β >) distribution: the largest value of collective velocity and lowest temperature is reached in the most central collisions at the highest collision energy. The energy dependence of these freeze-out parameters is discussed.
State-to-State Internal Energy Relaxation Following the Quantum-Kinetic Model in DSMC
NASA Technical Reports Server (NTRS)
Liechty, Derek S.
2014-01-01
A new model for chemical reactions, the Quantum-Kinetic (Q-K) model of Bird, has recently been introduced that does not depend on macroscopic rate equations or values of local flow field data. Subsequently, the Q-K model has been extended to include reactions involving charged species and electronic energy level transitions. Although this is a phenomenological model, it has been shown to accurately reproduce both equilibrium and non-equilibrium reaction rates. The usefulness of this model becomes clear as local flow conditions either exceed the conditions used to build previous models or when they depart from an equilibrium distribution. Presently, the applicability of the relaxation technique is investigated for the vibrational internal energy mode. The Forced Harmonic Oscillator (FHO) theory for vibrational energy level transitions is combined with the Q-K energy level transition model to accurately reproduce energy level transitions at a reduced computational cost compared to the older FHO models.
Kinetic Energy and Angular Distributions of He and Ar Atoms Evaporating from Liquid Dodecane.
Patel, Enamul-Hasan; Williams, Mark A; Koehler, Sven P K
2017-01-12
We report both kinetic energy and angular distributions for He and Ar atoms evaporating from C12H26. All results were obtained by performing molecular dynamics simulations of liquid C12H26 with around 10-20 noble gas atoms dissolved in the liquid and by subsequently following the trajectories of the noble gas atoms after evaporation from the liquid. Whereas He evaporates with a kinetic energy distribution of (1.05 ± 0.03) × 2RT (corrected for the geometry used in experiments: (1.08 ± 0.03) × 2RT, experimentally obtained value: (1.14 ± 0.01) × 2RT), Ar displays a kinetic energy distribution that better matches a Maxwell-Boltzmann distribution at the temperature of the liquid ((0.99 ± 0.04) × 2RT). This behavior is also reflected in the angular distributions, which are close to a cosine distribution for Ar but slightly narrower, especially for faster atoms, in the case of He. This behavior of He is most likely due to the weak interaction potential between He and the liquid hydrocarbon.
Recruiting at the Edge: Kinetic Energy Inhibits Anchovy Populations in the Western Mediterranean
Ruiz, Javier; Macías, Diego; Rincón, Margarita M.; Pascual, Ananda; Catalán, Ignacio A.; Navarro, Gabriel
2013-01-01
The Strait of Gibraltar replenishes the Mediterranean with Atlantic waters through an intense eastward current known as the Atlantic Jet (AJ). The AJ fertilizes the southwestern Mediterranean and is considered to be the ultimate factor responsible for the comparatively high fish production of this region. Here, we perform an analysis of the available historical catches and catch per unit effort (CPUE), together with a long series of surface currents, kinetic energy and chlorophyll concentration. We show that the high kinetic energy of the AJ increases primary production but also negatively impacts the recruitment of anchovy. We contend that anchovy recruitment in the region is inhibited by the advection and dispersion of larvae and post-larvae during periods of strong advection by the AJ. The inhibitory impact of kinetic energy on anchovy landings is not a transient but rather a persistent state of the system. An exceptional combination of events creates an outbreak of this species in the Alboran Sea. These events depend on the Mediterranean-Atlantic exchange of water masses and, therefore, are highly sensitive to climate changes that are projected, though not always negatively, for fish landings. PMID:23451027
Nucleation of diindenoperylene and pentacene at thermal and hyperthermal incident kinetic energies
Kish, Edward R.; Desai, Tushar V.; Greer, Douglas R.; Engstrom, James R.; Woll, Arthur R.
2015-05-15
The authors have examined the nucleation of diindenoperylene (DIP) on SiO{sub 2} employing primarily atomic force microscopy and focusing on the effect of incident kinetic energy employing both thermal and supersonic sources. For all incident kinetic energies examined (E{sub i} = 0.09–11.3 eV), the nucleation of DIP is homogeneous and the dependence of the maximum island density on the growth rate is described by a power law. A critical nucleus of approximately two molecules is implicated by our data. A re-examination of the nucleation of pentacene on SiO{sub 2} gives the same major result that the maximum island density is determined by the growth rate, and it is independent of the incident kinetic energy. These observations are readily understood by factoring in the size of the critical nucleus in each case, and the island density, which indicates that diffusive transport of molecules to the growing islands dominate the dynamics of growth in the submonolayer regime.
Measuring kinetic energy changes in the mesoscale with low acquisition rates
Roldán, É.; Martínez, I. A.; Rica, R. A.; Dinis, L.
2014-06-09
We report on the measurement of the average kinetic energy changes in isothermal and non-isothermal quasistatic processes in the mesoscale, realized with a Brownian particle trapped with optical tweezers. Our estimation of the kinetic energy change allows to access to the full energetic description of the Brownian particle. Kinetic energy estimates are obtained from measurements of the mean square velocity of the trapped bead sampled at frequencies several orders of magnitude smaller than the momentum relaxation frequency. The velocity is tuned applying a noisy electric field that modulates the amplitude of the fluctuations of the position and velocity of the Brownian particle, whose motion is equivalent to that of a particle in a higher temperature reservoir. Additionally, we show that the dependence of the variance of the time-averaged velocity on the sampling frequency can be used to quantify properties of the electrophoretic mobility of a charged colloid. Our method could be applied to detect temperature gradients in inhomogeneous media and to characterize the complete thermodynamics of biological motors and of artificial micro and nanoscopic heat engines.
Mass Yields and Average Total Kinetic Energy Release in Fission for 235U, 238U, and 239Pu
NASA Astrophysics Data System (ADS)
Duke, Dana
2015-10-01
Mass yield distributions and average total kinetic energy (TKE) in neutron induced fission of 235U, 238U, and 239Pu targets were measured with a gridded ionization chamber. Despite decades of fission research, our understanding of how fragment mass yields and TKE depend on incident neutron energy is limited, especially at higher energies (above 5-10 MeV). Improved accuracy in these quantities is important for nuclear technology as it enhances our simulation capabilities and increases the confidence in diagnostic tools. The data can also guide and validate theoretical fission models where the correlation between the fragment mass and TKE is of particular value for constraining models. The Los Alamos Neutron Science Center - Weapons Neutron Research (LANSCE - WNR) provides a neutron beam with energies from thermal to hundreds of MeV, well-suited for filling in the gaps in existing data and exploring fission behavior in the fast neutron region. The results of the studies on target nuclei 235U, 238U, and 239Pu will be presented with a focus on exploring data trends as a function of neutron energy from thermal through 30 MeV. Results indicate clear evidence of structure due to multi-chance fission in the TKE . LA-UR-15-24761.
Aggregation of liposomes induced by calcium: A structural and kinetic study
NASA Astrophysics Data System (ADS)
Roldán-Vargas, Sándalo; Martín-Molina, Alberto; Quesada-Pérez, Manuel; Barnadas-Rodríguez, Ramon; Estelrich, Joan; Callejas-Fernández, José
2007-02-01
In this work, the calcium-induced aggregation of phosphatidylserine liposomes is probed by means of the analysis of the kinetics of such process as well as the aggregate morphology. This novel characterization of liposome aggregation involves the use of static and dynamic light-scattering techniques to obtain kinetic exponents and fractal dimensions. For salt concentrations larger than 5mM , a diffusion-limited aggregation regime is observed and the Brownian kernel properly describes the time evolution of the diffusion coefficient. For slow kinetics, a slightly modified multiple contact kernel is required. In any case, a time evolution model based on the numerical resolution of Smoluchowski’s equation is proposed in order to establish a theoretical description for the aggregating system. Such a model provides an alternative procedure to determine the dimerization constant, which might supply valuable information about interaction mechanisms between phospholipid vesicles.
NASA Astrophysics Data System (ADS)
Zhang, Zhedong; Wang, Jin
2015-04-01
We develop a population and flux landscape theory for general non-equilibrium quantum systems. We illustrate our theory by modelling the quantum transport of donor-acceptor energy transfer. We find two driving forces for the non-equilibrium quantum dynamics. The symmetric part of the driving force corresponds to the population landscape contribution which mainly governs the equilibrium part of dynamics while the anti-symmetric part of the driving force generates the non-equilibrium curl quantum flux which leads to the detailed-balance-breaking and time-irreversibility. The multi-loop structure of the flux emerges forms the flux-landscape. We study the trend of changes in population and flux-landscape with respect to the voltage (temperature difference induced by environments) and electronic coupling. Improving the voltage and electronic coupling in general facilitates the quantum transport by reducing the population landscape barriers between major states and increasing the mean value of the flux. A limit-cycle mode emerges when the underlying flux-landscape becomes funnelled with a significant gap between the largest flux loop and the rest of them. On the kinetic level, we find that multiple kinetic paths between quantum states emerge and illustrate the interference effects. The degree of interference is determined by the landscape and flux. Furthermore, we quantify kinetic rate which strongly correlates with the population landscape and flux. For quantum transport, we demonstrate that as the coherence or the quantum entanglement is enhanced, the flux and energy transfer efficiency are increased. Finally it is surprising that the non-equilibriumness quantified by voltage has a non-trivial contribution on strengthening the entanglement, which is attributed to the non-local feature of the quantum curl flux.
Che, H; Goldstein, M L; Viñas, A F
2014-02-14
The observed steep kinetic scale turbulence spectrum in the solar wind raises the question of how that turbulence originates. Observations of keV energetic electrons during solar quiet time suggest them as a possible source of free energy to drive kinetic turbulence. Using particle-in-cell simulations, we explore how the free energy released by an electron two-stream instability drives Weibel-like electromagnetic waves that excite wave-wave interactions. Consequently, both kinetic Alfvénic and whistler turbulence are excited that evolve through inverse and forward magnetic energy cascades.
Berkane, K.; Bencheikh, K.
2005-08-15
For first-principles density functional theory of a many fermion system, the determination of the kinetic energy functional is important. We consider N independent fermions with spatially varying effective mass in two dimensions, we derive the corresponding kinetic energy density using the ({Dirac_h}/2{pi}) semiclassical approach. Our result reduces, as expected, to the one obtained in the literature for a constant effective mass. We examine the analytical expressions of the position dependent effective mass terms in the kinetic energy density functional with respect to the dimensionality d=1,2,3 of the space.
NASA Astrophysics Data System (ADS)
Di Palma, T. M.; Apicella, B.; Armenante, M.; Velotta, R.; Wang, X.; Spinelli, N.
2005-11-01
The kinetic energy distributions and the cross sections of the ions produced in the electron impact of ethyl tert-butyl ether (ETBE) have been studied by time of flight (TOF) mass spectrometry. The kinetic energy distributions have been deduced from the TOF peak shape analysis and a Montecarlo simulation method of the ion trajectories has been used to evaluate the collection efficiency of the spectrometer as a function of the ion initial kinetic energy. The measured ion yields have been corrected for the collection efficiency and the partial and total ionization cross sections of ETBE determined in the range 20-150 eV.
Dynamic positron emission tomography image restoration via a kinetics-induced bilateral filter.
Bian, Zhaoying; Huang, Jing; Ma, Jianhua; Lu, Lijun; Niu, Shanzhou; Zeng, Dong; Feng, Qianjin; Chen, Wufan
2014-01-01
Dynamic positron emission tomography (PET) imaging is a powerful tool that provides useful quantitative information on physiological and biochemical processes. However, low signal-to-noise ratio in short dynamic frames makes accurate kinetic parameter estimation from noisy voxel-wise time activity curves (TAC) a challenging task. To address this problem, several spatial filters have been investigated to reduce the noise of each frame with noticeable gains. These filters include the Gaussian filter, bilateral filter, and wavelet-based filter. These filters usually consider only the local properties of each frame without exploring potential kinetic information from entire frames. Thus, in this work, to improve PET parametric imaging accuracy, we present a kinetics-induced bilateral filter (KIBF) to reduce the noise of dynamic image frames by incorporating the similarity between the voxel-wise TACs using the framework of bilateral filter. The aim of the proposed KIBF algorithm is to reduce the noise in homogeneous areas while preserving the distinct kinetics of regions of interest. Experimental results on digital brain phantom and in vivo rat study with typical (18)F-FDG kinetics have shown that the present KIBF algorithm can achieve notable gains over other existing algorithms in terms of quantitative accuracy measures and visual inspection.
Fission induced by nucleons at intermediate energies
NASA Astrophysics Data System (ADS)
Lo Meo, S.; Mancusi, D.; Massimi, C.; Vannini, G.; Ventura, A.
2015-01-01
Monte Carlo calculations of fission of actinides and pre-actinides induced by protons and neutrons in the energy range from 100 MeV to 1 GeV are carried out by means of a recent version of the Liège Intranuclear Cascade Model, INCL++, coupled with two different evaporation-fission codes, GEMINI++ and ABLA07. In order to reproduce experimental fission cross sections, model parameters are usually adjusted on available (p , f) cross sections and used to predict (n , f) cross sections for the same isotopes.
NASA Astrophysics Data System (ADS)
Shin, Seungha
All energy conversion inefficiencies begin with emission of resonant atomic motions, e.g., vibrations, and are declared as waste heat once these motions thermalize to equilibrium. The nonequilibrium energy occupancy of the vibrational modes can be targeted as a harvestable, low entropy energy source for direct conversion to electric energy. Since the lifetime of these resonant vibrations is short, special nanostructures are required with the appropriate tuning of the kinetics. These in turn require multiscale, multiphysics treatments. Atomic vibration is described with quasiparticle phonon in solid, and the optical phonon emission is dominant relaxation channel in semiconductors. These optical modes become over-occupied when their emission rate becomes larger than their decay rate, thus hindering energy relaxation and transport in devices. Effective removal of these phonons by drifting electrons is investigated by manipulating the electron distribution to have higher population in the low-energy states, thus allowing favorable phonon absorption. This is done through introduction, design and analysis of a heterobarrier conducting current, where the band gap is controlled by alloying, thus creating a spatial variation which is abrupt followed by a linear gradient (to ensure directed current). Self-consistent ensemble Monte Carlo simulations based on interaction kinetics between electron and phonon show that up to 19% of the phonon energy is converted to electric potential with an optimized GaAs/AlxGa1-xAs barrier structure over a range of current and electron densities, and this system is also verified through statistical entropy analysis. This direct energy conversion improves the device performance with lower operation temperature and enhances overall energy conversion efficiency. Through this study, the paradigm for harvesting the resonant atomic vibration is proposed, reversing the general role of phonon as only causing electric potential drop. Fundamentals
Chemical bond as a test of density-gradient expansions for kinetic and exchange energies
Perdew, J.P.; Levy, M.; Painter, G.S.; Wei, S.; Lagowski, J.B.
1988-01-15
Errors in kinetic and exchange contributions to the molecular bonding energy are assessed for approximate density functionals by reference to near-exact Hartree-Fock values. From the molecular calculations of Allan et al. and of Lee and Ghosh, it is demonstrated that the density-gradient expansion does not accurately describe the noninteracting kinetic contribution to the bonding energy, even when this expansion is carried to fourth order and applied in its spin-density-functional form to accurate Hartree-Fock densities. In a related study, it is demonstrated that the overbinding of molecules such as N/sub 2/ and F/sub 2/, which occurs in the local-spin-density (LSD) approximation for the exchange-correlation energy, is not attributable to errors in the self-consistent LSD densities. Contrary to expectations based upon the Gunnarsson-Jones nodality argument, it is found that the LSD approximation for the exchange energy can seriously overbind a molecule even when bonding does not create additional nodes in the occupied valence orbitals. LSD and exact values for the exchange contribution to the bonding energy are displayed and discussed for several molecules.
Liu, Guanlin; Leng, Qiang; Lian, Jiawei; Guo, Hengyu; Yi, Xi; Hu, Chenguo
2015-01-21
Great attention has been paid to nanogenerators that harvest energy from ambient environments lately. In order to give considerable output current, most nanogenerators require high-velocity motion that in most cases can hardly be provided in our daily life. Here we report a notepad-like triboelectric generator (NTEG), which uses simple notepad-like structure to generate elastic deformation so as to turn a low-velocity kinetic energy into high-velocity kinetic energy through the conversion of elastic potential energy. Therefore, the NTEG can achieve high current output under low-velocity motion, which completely distinguishes it from tribogenerators previously reported. The factors that may affect the output performance are explored, including the number of slices, active length of slice, press speed, and vertical displacement. In addition, the working mechanism is systematically studied, indicating that the efficiency of the generator can be greatly enhanced by interconversion between kinetic energy and elastic potential energy. The short-circuit current, the open-circuit voltage, and power density are 205 μA and 470 V and 9.86 W/m(2), respectively, which is powerful enough to light up hundreds of light-emitting diodes (LEDs) and charge a commercial capacitor. Besides, NTEGs have been successfully applied to a self-powered door monitor.
Convective kinetic energy equation under the mass-flux subgrid-scale parameterization
NASA Astrophysics Data System (ADS)
Yano, Jun-Ichi
2015-03-01
The present paper originally derives the convective kinetic energy equation under mass-flux subgrid-scale parameterization in a formal manner based on the segmentally-constant approximation (SCA). Though this equation is long since presented by Arakawa and Schubert (1974), a formal derivation is not known in the literature. The derivation of this formulation is of increasing interests in recent years due to the fact that it can explain basic aspects of the convective dynamics such as discharge-recharge and transition from shallow to deep convection. The derivation is presented in two manners: (i) for the case that only the vertical component of the velocity is considered and (ii) the case that both the horizontal and vertical components are considered. The equation reduces to the same form as originally presented by Arakwa and Schubert in both cases, but with the energy dissipation term defined differently. In both cases, nevertheless, the energy "dissipation" (loss) term consists of the three principal contributions: (i) entrainment-detrainment, (ii) outflow from top of convection, and (iii) pressure effects. Additionally, inflow from the bottom of convection contributing to a growth of convection is also formally counted as a part of the dissipation term. The eddy dissipation is also included for a completeness. The order-of-magnitude analysis shows that the convective kinetic energy "dissipation" is dominated by the pressure effects, and it may be approximately described by Rayleigh damping with a constant time scale of the order of 102-103 s. The conclusion is also supported by a supplementary analysis of a cloud-resolving model (CRM) simulation. The Appendix discusses how the loss term ("dissipation") of the convective kinetic energy is qualitatively different from the conventional eddy-dissipation process found in turbulent flows.
Kinetic energy distributions of sputtered neutral aluminum clusters: Al--Al[sub 6
Coon, S.R.; Calaway, W.F.; Pellin, M.J. ); Curlee, G.A. . Dept. of Physics); White, J.M. . Dept. of Chemistry and Biochemistry)
1992-01-01
Neutral aluminum clusters sputtered from polycrystalline aluminum were analyzed by laser postionization time-of-flight (TOF) mass spectrometry. The kinetic energy distributions of Al through Al[sub 6] were measured by a neutrals time-of-flight technique. The interpretation of laser postionization TOF data to extract velocity and energy distributions is presented. The aluminum cluster distributions are qualitatively similar to previous copper cluster distribution measurements from our laboratory. In contrast to the steep high energy tails predicted by the single- or multiple- collision models, the measured cluster distributions have high energy power law dependences in the range of E[sup [minus]3] to E[sup [minus]4.5]. Correlated collision models may explain the substantial abundance of energetic clusters that are observed in these experiments. Possible influences of cluster fragmentation on the distributions are discussed.
Kinetic energy distributions of sputtered neutral aluminum clusters: Al--Al{sub 6}
Coon, S.R.; Calaway, W.F.; Pellin, M.J.; Curlee, G.A.; White, J.M.
1992-12-01
Neutral aluminum clusters sputtered from polycrystalline aluminum were analyzed by laser postionization time-of-flight (TOF) mass spectrometry. The kinetic energy distributions of Al through Al{sub 6} were measured by a neutrals time-of-flight technique. The interpretation of laser postionization TOF data to extract velocity and energy distributions is presented. The aluminum cluster distributions are qualitatively similar to previous copper cluster distribution measurements from our laboratory. In contrast to the steep high energy tails predicted by the single- or multiple- collision models, the measured cluster distributions have high energy power law dependences in the range of E{sup {minus}3} to E{sup {minus}4.5}. Correlated collision models may explain the substantial abundance of energetic clusters that are observed in these experiments. Possible influences of cluster fragmentation on the distributions are discussed.
NASA Technical Reports Server (NTRS)
Jaffe, Richard L.; Pattengill, Merle D.; Schwenke, David W.
1989-01-01
Strategies for constructing global potential energy surfaces from a limited number of accurate ab initio electronic energy calculations are discussed. Generally, these data are concentrated in small regions of configuration space (e.g., in the vicinity of saddle points and energy minima) and difficulties arise in generating a potential function that is globally well-behaved. Efficient computer codes for carrying out classical trajectory calculations on vector and parallel processors are also described. Illustrations are given from recent work on the following chemical systems: Ca + HF yields CaF + H, H + H + H2 yields H2 + H2, N + O2 yields NO + O and O + N2 yields NO + N. The dynamics and kinetics of metathesis, dissociation, recombination, energy transfer and complex formation processes will be discussed.
NASA Astrophysics Data System (ADS)
Andrianova, Z. S.; Breslavskaya, N. N.; Pliss, E. M.; Buchachenko, A. L.
2016-10-01
A computational program specially designed to analyze co-oxidation of substances in mixtures is suggested. The rigorous kinetic scheme of 32 reactions describing co-oxidation of isotope differing polyunsaturated fatty acids was computed to enlighten experimentally detected enormously large H/D isotope effects. The latter were shown to depend on the kinetic chain length and exhibit two extreme regimes of short and long chains which characterize isotope effects on the initiation and propagation chain reactions of hydrogen (deuterium) atom abstraction. No protective effect of deuterated polyunsaturated acids on the oxidation of protiated acids was detected. Protective effect of the deuterated compounds on the biologically important processes seems to be induced by the low yield of products formed in the chain termination reactions due to the low rate of initiation by deuterated compounds.
Enzymatic Kinetic Isotope Effects from Path-Integral Free Energy Perturbation Theory.
Gao, J
2016-01-01
Path-integral free energy perturbation (PI-FEP) theory is presented to directly determine the ratio of quantum mechanical partition functions of different isotopologs in a single simulation. Furthermore, a double averaging strategy is used to carry out the practical simulation, separating the quantum mechanical path integral exactly into two separate calculations, one corresponding to a classical molecular dynamics simulation of the centroid coordinates, and another involving free-particle path-integral sampling over the classical, centroid positions. An integrated centroid path-integral free energy perturbation and umbrella sampling (PI-FEP/UM, or simply, PI-FEP) method along with bisection sampling was summarized, which provides an accurate and fast convergent method for computing kinetic isotope effects for chemical reactions in solution and in enzymes. The PI-FEP method is illustrated by a number of applications, to highlight the computational precision and accuracy, the rule of geometrical mean in kinetic isotope effects, enhanced nuclear quantum effects in enzyme catalysis, and protein dynamics on temperature dependence of kinetic isotope effects.
Pak, Alireza; Lesage, Denis; Gimbert, Yves; Vékey, Károly; Tabet, Jean-Claude
2008-04-01
The internal energy of ions and the timescale play fundamental roles in mass spectrometry. The main objective of this study is to estimate and compare the internal energy distributions of different ions (different nature, degree of freedom 'DOF' and fragmentations) produced in an electrospray source (ESI) of a triple-quadrupole instrument (Quattro I Micromass). These measurements were performed using both the Survival Yield method (as proposed by De Pauw) and the MassKinetics software (kinetic model introduced by Vékey). The internal energy calibration is the preliminary step for ESI and collision-induced dissociation (CID) spectra calculation. meta-Methyl-benzylpyridinium ion and four protonated peptides (YGGFL, LDIFSDF, LDIFSDFR and RLDIFSDF) were produced using an electrospray source. These ions were used as thermometer probe compounds. Cone voltages (V(c)) were linearly correlated with the mean internal energy values (
Goel, N K; Kumar, Virendra; Pahan, S; Bhardwaj, Y K; Sabharwal, S
2011-10-15
Mutual radiation grafting technique was employed to graft polyacrylic acid (PAA) onto Polytetrafluoroethylene (Teflon) scrap using high energy gamma radiation. Polyacrylic acid-g-Teflon (PAA-g-Teflon) adsorbent was characterized by grafting extent measurement, FTIR spectroscopy, SEM and wet ability & surface energy analysis. The PAA-g-Teflon adsorbent was studied for dye adsorption from aqueous solution of basic dyes, namely, Basic red 29 (BR29) and Basic yellow 11 (BY11). The equilibrium adsorption data were analyzed by Langmuir and Freundlich adsorption isotherm models, whereas, adsorption kinetics was analyzed using pseudo-first order, pseudo-second order and intra-particle diffusion kinetic models. Equilibrium adsorption of BR29 was better explained by Langmuir adsorption model, while that of BY11 by Freundlich adsorption model. The adsorption capacity for BY11 was more than for BR29. Separation factor (R(L)) was found to be in the range 0 < R(L) < 1, indicating favorable adsorption of dyes. Higher coefficient of determination (r(2) > 0.99) and better agreement between the q(e,cal) and q(e,exp) values suggested that pseudo-second order kinetic model better represents the kinetic adsorption data. The non-linearity obtained for intra-particle diffusion plot indicated, more than one process is involved in the adsorption of basic dyes. The desorption studies showed that ~95% of the adsorbed dye could be eluted in suitable eluent.
Noise induced transitions in rugged energy landscapes
NASA Astrophysics Data System (ADS)
Pradas, Marc; Duncan, Andrew; Kalliadasis, Serafim; Pavliotis, Greg
2016-11-01
External or internal random fluctuations are ubiquitous in many physical and technological systems and can play a key role in their dynamics often inducing a wide variety of complex spatiotemporal phenomena, including noise-induced spatial patterns and noise-induced phase transitions. Many of these phenomena can be modelled by noisy multiscale systems characterized by the presence of a wide range of different time- and lengthscales interacting nontrivially with each other. Here we analyse the effects of additive noise on systems that are described in terms of a rugged energy landscape, modelled as a slowly-varying multiscale potential perturbed by periodic multiscale fluctuations. Some examples of this problem include the dynamics of sessile droplets on heterogeneous substrates, crystallization and the evolution of protein folding. We demonstrate that the interplay between noise and the small scale fluctuations in the potential can give rise to a dramatically different bifurcation structure and dynamical behaviour compared to that of the original, unperturbed model. For instance, we observe several nontrivial and largely unexpected dynamic-state transitions controlled by the noise intensity. We characterize these transitions in terms of critical exponents.
Kinetic Energy Recovery from the Chimney Flue Gases Using Ducted Turbine System
NASA Astrophysics Data System (ADS)
Mann, Harjeet S.; Singh, Pradeep K.
2017-03-01
An innovative idea of extracting kinetic energy from man-made wind resources using ducted turbine system for on-site power generation is introduced in this paper. A horizontal axis ducted turbine is attached to the top of the chimney to harness the kinetic energy of flue gases for producing electricity. The turbine system is positioned beyond the chimney outlet, to avoid any negative impact on the chimney performance. The convergent-divergent duct causes increase in the flue gas velocity and hence enhances the performance of the turbine. It also acts as a safety cover to the energy recovery system. The results from the CFD based simulation analysis indicate that significant power 34 kW can be harnessed from the chimney exhaust. The effect of airfoils NACA4412 and NACA4416 and the diffuser angle on the power extraction by the energy recovery system using a 6-bladed ducted turbine has been studied with the CFD simulation. It is observed that the average flue gas velocity in the duct section at the throat is approximately twice that of the inlet velocity, whereas maximum velocity achieved is 2.6 times the inlet velocity. The simulated results show that about power may be extracted from the chimney flue gases of 660 MW power plant. The system can be retrofitted to existing chimneys of thermal power plants, refineries and other industries.
Kinetic study of solid waste pyrolysis using distributed activation energy model.
Bhavanam, Anjireddy; Sastry, R C
2015-02-01
The pyrolysis characteristics of municipal solid waste, agricultural residues such as ground nut shell, cotton husk and their blends are investigated using non-isothermal thermogravimetric analysis (TGA) with in a temperature range of 30-900 °C at different heating rates of 10 °C, 30 °C and 50 °C/min in inert atmosphere. From the thermograms obtained from TGA, it is observed that the maximum rate of degradation occurred in the second stage of the pyrolysis process for all the solid wastes. The distributed activation energy model (DAEM) is used to study the pyrolysis kinetics of the solid wastes. The kinetic parameters E (activation energy), k0 (frequency factor) are calculated from this model. It is found that the range of activation energies for agricultural residues are lower than the municipal solid waste. The activation energies for the municipal solid waste pyrolysis process drastically decreased with addition of agricultural residues. The proposed DAEM is successfully validated with TGA experimental data.
Turbulence power and kinetic energy spectra measured by a temporal-to-spatial record conversion
NASA Astrophysics Data System (ADS)
Buchhave, Preben; Velte, Clara
2015-11-01
A method of converting a time record of turbulent velocity measured at a point in a flow to a spatial velocity record consisting of consecutive streak line elements that allows computation of turbulent kinetic wavenumber spectra is briefly introduced (more detail in a related paper at this conference, see ref). The method completely bypasses the problems with Taylor's hypothesis caused by fluctuating convection velocities. In the present contribution, we discuss the interpretation of the first order static moments (e.g. mean and rms velocity) and second order dynamic moments (e.g. spatial correlation function and energy spectrum) computed from the spatial record, which was derived from the measured temporal record. We compare several possible versions of the new energy spectra with the classical 1D and 3D energy spectra and the so-called total kinetic energy spectrum and discuss the range of validity of any equivalence between the new computations and the classical ones. Ref.: Clara M. Velte: A novel time-to-space conversion methods bypassing the problems with Taylor's hypothesis caused by fluctuating convection velocities
A simplified model for average kinetic energy flux within large wind turbine arrays
NASA Astrophysics Data System (ADS)
Markfort, Corey; Zhang, Wei; Porte-Agel, Fernando
2015-11-01
We investigate the kinetic energy distribution within an array of wind turbines using a 1-D model for the interactions between large-scale wind farms and the atmospheric boundary layer (ABL). Obstructed shear flow scaling is used to predict the development length of the wind farm flow as well as vertical momentum flux. Within the region of flow development, momentum and energy is advected into the wind farm and wake turbulence draws excess momentum in from between turbines. This is characterized by large dispersive fluxes. Once the flow within the farm is developed, the area - averaged velocity profile exhibits an inflection point, characteristic of obstructed shear flows. The inflected velocity profile is responsible for a characteristic turbulence eddy scale, which may be responsible for a significant amount of the vertical momentum and energy flux. Prediction of this scale is useful for determining the amount of available power for harvesting. The model result for kinetic energy flux is compared to wind tunnel measurements. The model is useful for optimizing wind turbine spacing and layout, and for assessing the impacts of wind farms on nearby wind resources and the environment.
Abaïdia, Abd-Elbasset; Delecroix, Barthélémy; Leduc, Cédric; Lamblin, Julien; McCall, Alan; Baquet, Georges; Dupont, Grégory
2017-01-01
Abaïdia, A-E, Delecroix, B, Leduc, C, Lamblin, J, McCall, A, Baquet, G, and Dupont, G. Effects of a strength training session after an exercise inducing muscle damage on recovery kinetics. J Strength Cond Res 31(1): 115-125, 2017-The purpose of this study was to investigate the effects of an upper-limb strength training session the day after an exercise inducing muscle damage on recovery of performance. In a randomized crossover design, subjects performed the day after the exercise, on 2 separate occasions (passive vs. active recovery conditions) a single-leg exercise (dominant in one condition and nondominant in the other condition) consisting of 5 sets of 15 eccentric contractions of the knee flexors. Active recovery consisted of performing an upper-body strength training session the day after the exercise. Creatine kinase, hamstring strength, and muscle soreness were assessed immediately and 20, 24, and 48 hours after exercise-induced muscle damage. The upper-body strength session, after muscle-damaging exercise accelerated the recovery of slow concentric force (effect size = 0.65; 90% confidence interval = -0.06 to 1.32), but did not affect the recovery kinetics for the other outcomes. The addition of an upper-body strength training session the day after muscle-damaging activity does not negatively affect the recovery kinetics. Upper-body strength training may be programmed the day after a competition.
Kinetic Modeling of Slow Energy Release in Non-Ideal Carbon Rich Explosives
Vitello, P; Fried, L; Glaesemann, K; Souers, C
2006-06-20
We present here the first self-consistent kinetic based model for long time-scale energy release in detonation waves in the non-ideal explosive LX-17. Non-ideal, insensitive carbon rich explosives, such as those based on TATB, are believed to have significant late-time slow release in energy. One proposed source of this energy is diffusion-limited growth of carbon clusters. In this paper we consider the late-time energy release problem in detonation waves using the thermochemical code CHEETAH linked to a multidimensional ALE hydrodynamics model. The linked CHEETAH-ALE model dimensional treats slowly reacting chemical species using kinetic rate laws, with chemical equilibrium assumed for species coupled via fast time-scale reactions. In the model presented here we include separate rate equations for the transformation of the un-reacted explosive to product gases and for the growth of a small particulate form of condensed graphite to a large particulate form. The small particulate graphite is assumed to be in chemical equilibrium with the gaseous species allowing for coupling between the instantaneous thermodynamic state and the production of graphite clusters. For the explosive burn rate a pressure dependent rate law was used. Low pressure freezing of the gas species mass fractions was also included to account for regions where the kinetic coupling rates become longer than the hydrodynamic time-scales. The model rate parameters were calibrated using cylinder and rate-stick experimental data. Excellent long time agreement and size effect results were achieved.
Statistical properties of kinetic and total energy densities in reverberant spaces.
Jacobsen, Finn; Molares, Alfonso Rodríguez
2010-04-01
Many acoustical measurements, e.g., measurement of sound power and transmission loss, rely on determining the total sound energy in a reverberation room. The total energy is usually approximated by measuring the mean-square pressure (i.e., the potential energy density) at a number of discrete positions. The idea of measuring the total energy density instead of the potential energy density on the assumption that the former quantity varies less with position than the latter goes back to the 1930s. However, the phenomenon was not analyzed until the late 1970s and then only for the region of high modal overlap, and this analysis has never been published. Moreover, until fairly recently, measurement of the total sound energy density required an elaborate experimental arrangement based on finite-difference approximations using at least four amplitude and phase matched pressure microphones. With the advent of a three-dimensional particle velocity transducer, it has become somewhat easier to measure total rather than only potential energy density in a sound field. This paper examines the ensemble statistics of kinetic and total sound energy densities in reverberant enclosures theoretically, experimentally, and numerically.
Fritzius, Thorsten; Turecek, Rostislav; Seddik, Riad; Kobayashi, Hiroyuki; Tiao, Jim; Rem, Pascal D; Metz, Michaela; Kralikova, Michaela; Bouvier, Michel; Gassmann, Martin; Bettler, Bernhard
2017-02-01
GABAB receptors are the G-protein coupled receptors for the main inhibitory neurotransmitter in the brain, GABA. GABAB receptors were shown to associate with homo-oligomers of auxiliary KCTD8, KCTD12, KCTD12b, and KCTD16 subunits (named after their T1 K(+)-channel tetramerization domain) that regulate G-protein signaling of the receptor. Here we provide evidence that GABAB receptors also associate with hetero-oligomers of KCTD subunits. Coimmunoprecipitation experiments indicate that two-thirds of the KCTD16 proteins in the hippocampus of adult mice associate with KCTD12. We show that the KCTD proteins hetero-oligomerize through self-interacting T1 and H1 homology domains. Bioluminescence resonance energy transfer measurements in live cells reveal that KCTD12/KCTD16 hetero-oligomers associate with both the receptor and the G-protein. Electrophysiological experiments demonstrate that KCTD12/KCTD16 hetero-oligomers impart unique kinetic properties on G-protein-activated Kir3 currents. During prolonged receptor activation (one min) KCTD12/KCTD16 hetero-oligomers produce moderately desensitizing fast deactivating K(+) currents, whereas KCTD12 and KCTD16 homo-oligomers produce strongly desensitizing fast deactivating currents and nondesensitizing slowly deactivating currents, respectively. During short activation (2 s) KCTD12/KCTD16 hetero-oligomers produce nondesensitizing slowly deactivating currents. Electrophysiological recordings from hippocampal neurons of KCTD knock-out mice are consistent with these findings and indicate that KCTD12/KCTD16 hetero-oligomers increase the duration of slow IPSCs. In summary, our data demonstrate that simultaneous assembly of distinct KCTDs at the receptor increases the molecular and functional repertoire of native GABAB receptors and modulates physiologically induced K(+) current responses in the hippocampus.
Liu, Qi; Gao, Min-Rui; Liu, Yuzi; Okasinski, John S; Ren, Yang; Sun, Yugang
2016-01-13
The fast reaction kinetics presented in the microwave synthesis of colloidal silver nanoparticles was quantitatively studied, for the first time, by integrating a microwave reactor with in situ X-ray diffraction at a high-energy synchrotron beamline. Comprehensive data analysis reveals two different types of reaction kinetics corresponding to the nucleation and growth of the Ag nanoparticles. The formation of seeds (nucleation) follows typical first-order reaction kinetics with activation energy of 20.34 kJ/mol, while the growth of seeds (growth) follows typical self-catalytic reaction kinetics. Varying the synthesis conditions indicates that the microwave colloidal chemistry is independent of concentration of surfactant. These discoveries reveal that the microwave synthesis of Ag nanoparticles proceeds with reaction kinetics significantly different from the synthesis present in conventional oil bath heating. The in situ X-ray diffraction technique reported in this work is promising to enable further understanding of crystalline nanomaterials formed through microwave synthesis.
NASA Astrophysics Data System (ADS)
Meierbachtol, K.; Tovesson, F.; Duke, D. L.; Geppert-Kleinrath, V.; Manning, B.; Meharchand, R.; Mosby, S.; Shields, D.
2016-09-01
The average total kinetic energy (T K E ¯) in 239Pu(n ,f ) has been measured for incident neutron energies between 0.5 and 50 MeV. The experiment was performed at the Los Alamos Neutron Science Center (LANSCE) using the neutron time-of-flight technique, and the kinetic energy of fission fragments post-neutron emission was measured in a double Frisch-gridded ionization chamber. This represents the first experimental study of the energy dependence of T K E ¯ in 239Pu above neutron energies of 6 MeV.
Garcia-Aldea, David; Alvarellos, J. E.
2007-11-15
We study two families of approximate nonlocal kinetic-energy functionals that include a full von Weizsaecker functional, and that have nonlocal terms with the mathematical structure of the Thomas-Fermi functional. The functionals recover the exact kinetic energy and the linear response function of a homogeneous electron system. The first family is a generalization of a successful previous nonlocal functional. The second family is proposed in the paper, and is designed to obtain functionals suitable for use in both localized and extended systems. Furthermore, this family has been designed to be evaluated by a single integration in momentum space when a constant reference density is used. The atomic total kinetic energies are in good agreement with the exact calculations. The kinetic-energy density corresponding to each functional has been assessed to control its quality. The results show that, in general, these functionals behave better than both the Thomas-Fermi and all semilocal generalized gradient approximation functionals when describing the kinetic-energy density of atoms, providing a better description of the nonlocal effects of the kinetic energy of electron systems.
NASA Astrophysics Data System (ADS)
Towers, J.; van Zyl, B. P.; Kirkby, W.
2015-08-01
In a recent paper [B. P. van Zyl et al., Phys. Rev. A 89, 022503 (2014), 10.1103/PhysRevA.89.022503], the average density approximation (ADA) was implemented to develop a parameter-free, nonlocal kinetic energy functional to be used in the orbital-free density functional theory of an inhomogeneous, two-dimensional (2D) Fermi gas. In this work, we provide a detailed comparison of self-consistent calculations within the ADA with the exact results of the Kohn-Sham density functional theory and the elementary Thomas-Fermi (TF) approximation. We demonstrate that the ADA for the 2D kinetic energy functional works very well under a wide variety of confinement potentials, even for relatively small particle numbers. Remarkably, the TF approximation for the kinetic energy functional, without any gradient corrections, also yields good agreement with the exact kinetic energy for all confining potentials considered, although at the expense of the spatial and kinetic energy densities exhibiting poor pointwise agreement, particularly near the TF radius. Our findings illustrate that the ADA kinetic energy functional yields accurate results for both the local and global equilibrium properties of an inhomogeneous 2D Fermi gas, without the need for any fitting parameters.
Sensory Agreement Guides Kinetic Energy Optimization of Arm Movements during Object Manipulation.
Farshchiansadegh, Ali; Melendez-Calderon, Alejandro; Ranganathan, Rajiv; Murphey, Todd D; Mussa-Ivaldi, Ferdinando A
2016-04-01
The laws of physics establish the energetic efficiency of our movements. In some cases, like locomotion, the mechanics of the body dominate in determining the energetically optimal course of action. In other tasks, such as manipulation, energetic costs depend critically upon the variable properties of objects in the environment. Can the brain identify and follow energy-optimal motions when these motions require moving along unfamiliar trajectories? What feedback information is required for such optimal behavior to occur? To answer these questions, we asked participants to move their dominant hand between different positions while holding a virtual mechanical system with complex dynamics (a planar double pendulum). In this task, trajectories of minimum kinetic energy were along curvilinear paths. Our findings demonstrate that participants were capable of finding the energy-optimal paths, but only when provided with veridical visual and haptic information pertaining to the object, lacking which the trajectories were executed along rectilinear paths.
The analysis and kinetic energy balance of an upper-level wind maximum during intense convection
NASA Technical Reports Server (NTRS)
Fuelberg, H. E.; Jedlovec, G. J.
1982-01-01
The purpose of this paper is to analyze the formation and maintenance of the upper-level wind maximum which formed between 1800 and 2100 GMT, April 10, 1979, during the AVE-SESAME I period, when intense storms and tornadoes were experienced (the Red River Valley tornado outbreak). Radiosonde stations participating in AVE-SESAME I are plotted (centered on Oklahoma). National Meteorological Center radar summaries near the times of maximum convective activity are mapped, and height and isotach plots are given, where the formation of an upper-level wind maximum over Oklahoma is the most significant feature at 300 mb. The energy balance of the storm region is seen to change dramatically as the wind maximum forms. During much of its lifetime, the upper-level wind maximum is maintained by ageostrophic flow that produces cross-contour generation of kinetic energy and by the upward transport of midtropospheric energy. Two possible mechanisms for the ageostrophic flow are considered.
Potential to kinetic energy conversion in wave number domain for the Southern Hemisphere
NASA Technical Reports Server (NTRS)
Huang, H.-J.; Vincent, D. G.
1984-01-01
Preliminary results of a wave number study conducted for the South Pacific Convergence Zone (SPCZ) using FGGE data for the period January 10-27, 1979 are reported. In particular, three variables (geomagnetic height, z, vertical p-velocity, omega, and temperature, T) and one energy conversion quantity, omega-alpha (where alpha is the specific volume), are shown. It is demonstrated that wave number 4 plays an important role in the conversion from available potential energy to kinetic energy in the Southern Hemisphere tropics, particularly in the vicinity of the SPCZ. It is therefore suggested that the development and movement of wave number 4 waves be carefully monitored in making forecasts for the South Pacific region.
Electromagnetic energy conversion in downstream fronts from three dimensional kinetic reconnection
Lapenta, Giovanni; Goldman, Martin; Newman, David; Markidis, Stefano; Divin, Andrey
2014-05-15
The electromagnetic energy equation is analyzed term by term in a 3D simulation of kinetic reconnection previously reported by Vapirev et al. [J. Geophys. Res.: Space Phys. 118, 1435 (2013)]. The evolution presents the usual 2D-like topological structures caused by an initial perturbation independent of the third dimension. However, downstream of the reconnection site, where the jetting plasma encounters the yet unperturbed pre-existing plasma, a downstream front is formed and made unstable by the strong density gradient and the unfavorable local acceleration field. The energy exchange between plasma and fields is most intense at the instability, reaching several pW/m{sup 3}, alternating between load (energy going from fields to particles) and generator (energy going from particles to fields) regions. Energy exchange is instead purely that of a load at the reconnection site itself in a region focused around the x-line and elongated along the separatrix surfaces. Poynting fluxes are generated at all energy exchange regions and travel away from the reconnection site transporting an energy signal of the order of about S≈10{sup −3}W/m{sup 2}.
Asymptotic domination of cold relativistic MHD winds by kinetic energy flux
NASA Technical Reports Server (NTRS)
Begelman, Mitchell C.; Li, Zhi-Yun
1994-01-01
We study the conditions which lead to the conversion of most Poynting flux into kinetic energy flux in cold, relativistic hydromagnetic winds. It is shown that plasma acceleration along a precisely radial flow is extremely inefficient due to the near cancellation of the toroidal magnetic pressure and tension forces. However, if the flux tubes in a flow diverge even slightly faster than radially, the fast magnetosonic point moves inward from infinity to a few times the light cylinder radius. Once the flow becomes supermagnetosonic, further divergence of the flux tubes beyond the fast point can accelerate the flow via the 'magnetic nozzle' effect, thereby further converting Poynting flux to kinetic energy flux. We show that the Grad-Shafranov equation admits a generic family of kinetic energy-dominated asymptotic wind solutions with finite total magnetic flux. The Poynting flux in these solutions vanishes logarithmically with distance. The way in which the flux surfaces are nested within the flow depends only on the ratio of angular velocity to poliodal 4-velocity as a function of magnetic flux. Radial variations in flow structure can be expressed in terms of a pressure boundary condition on the outermost flux surface, provided that no external toriodal field surrounds the flow. For a special case, we show explicitly how the flux surfaces merge gradually to their asymptotes. For flows confined by an external medium of pressure decreasing to zero at infinity we show that, depending on how fast the ambient pressure declines, the final flow state could be either a collimated jet or a wind that fills the entire space. We discuss the astrophysical implications of our results for jets from active galactic nuclei and for free pulsar winds such as that believed to power the Crab Nebula.
Numerical and experimental assessment of turbulent kinetic energy in an aortic coarctation.
Lantz, Jonas; Ebbers, Tino; Engvall, Jan; Karlsson, Matts
2013-07-26
The turbulent blood flow through an aortic coarctation in a 63-year old female patient was studied experimentally using magnetic resonance imaging (MRI), and numerically using computational fluid dynamics (CFD), before and after catheter intervention. Turbulent kinetic energy (TKE) was computed in the numerical model using large eddy simulation and compared with direct in vivo MRI measurements. Despite the two totally different methods to obtain TKE values, both quantitative and qualitative results agreed very well. The results showed that even though both blood flow rate and Reynolds number increased after intervention, total turbulent kinetic energy levels decreased in the coarctation. Therefore, the use of the Reynolds number alone as a measure of turbulence in cardiovascular flows should be used with caution. Furthermore, the change in flow field and kinetic energy were assessed, and it was found that before intervention a jet formed in the throat of the coarctation, which impacted the arterial wall just downstream the constriction. After intervention the jet was significantly weaker and broke up almost immediately, presumably resulting in less stress on the wall. As there was a good agreement between measurements and numerical results (the increase and decrease of integrated TKE matched measurements almost perfectly while peak values differed by approximately 1mJ), the CFD results confirmed the MRI measurements while at the same time providing high-resolution details about the flow. Thus, this preliminary study indicates that MR-based TKE measurements might be useful as a diagnostic tool when evaluating intervention outcome, while the detailed numerical results might be useful for further understanding of the flow for treatment planning.
Vázquez, Juana; Harding, Michael E; Stanton, John F; Gauss, Jürgen
2011-05-10
A variational method for the calculation of low-lying vibrational energy levels of molecules with small amplitude vibrations is presented. The approach is based on the Watson Hamiltonian in rectilinear normal coordinates and characterized by a quasi-analytic integration over the kinetic energy operator (KEO). The KEO beyond the harmonic approximation is represented by a Taylor series in terms of the rectilinear normal coordinates around the equilibrium configuration. This formulation of the KEO enables its extension to arbitrary order until numerical convergence is reached for those states describing small amplitude motions and suitably represented with a rectilinear system of coordinates. A Gauss-Hermite quadrature grid representation of the anharmonic potential is used for all the benchmark examples presented. Results for a set of molecules with linear and nonlinear configurations, i.e., CO2, H2O, and formyl fluoride (HFCO), illustrate the performance of the method and the versatility of our implementation.
Nonlinear Cascades of Surface Oceanic Geostrophic Kinetic Energy in the Frequency Domain
2012-09-01
spectral transfers T(v) 5 2 › ›v P(v) of kinetic energy in frequency v space, as diagnostics of the impact of nonlinearity on the frequency spectra of...surface ocean geostrophic flows. Our analysis of non- linearities in the frequency domain is somewhat similar to the diagnostics employed by Sheng and...transfers T(v) could be useful diagnostics of the role of non- linearity in maintaining low-frequency variability in the climate system. In ocean models, T
Kinetic energy releases of small amino acids upon interaction with keV ions
NASA Astrophysics Data System (ADS)
Bari, S.; Alvarado, F.; Postma, J.; Sobocinski, P.; Hoekstra, R.; Schlathölter, T.
2009-01-01
In chromatin, DNA is tightly packed into one complex together with histone and non-histone proteins. These proteins are known to protect the DNA against indirect and to some extent even direct radiation damage. Radiation action upon amino acids is thus one of the primary steps in biological radiation action. In this paper we investigate the ionization and fragmentation of the gas-phase amino acids glycine, alanine and valine upon interaction with keV α-particles. High resolution coincidence time-of-flight mass spectrometry is used to determine the dominant fragmentation channels as well as fragment kinetic energies.
Method and turbine for extracting kinetic energy from a stream of two-phase fluid
NASA Technical Reports Server (NTRS)
Elliott, D. G. (Inventor)
1979-01-01
An axial flow separator turbine is described which includes a number of nozzles for delivering streams of a two-phase fluid along linear paths. A phase separator which responsively separates the vapor and liquid is characterized by concentrically related annuli supported for rotation within the paths. The separator has endless channels for confining the liquid under the influence of centrifugal forces. A vapor turbine fan extracts kinetic energy from the liquid. Angular momentum of both the liquid phase and the vapor phase of the fluid is converted to torque.
NASA Technical Reports Server (NTRS)
Kofsky, I. L.; Barrett, J. L.
1985-01-01
Laboratory experiments in which recombined CO, CO2, D2O, OH, N2, H2, and O2 molecules desorb from surfaces in excited internal and translational states are briefly reviewed. Unequilibrated distributions predominate from the principally catalytic metal substrates so far investigated. Mean kinetic energies have been observed up to approx. 3x, and in some cases less than, wall-thermal; the velocity distributions generally vary with emission angle, with non-Lambertian particle fluxes. The excitation state populations are found to depend on surface impurities, in an as yet unexplained way.
Estimates of turbulent kinetic energy dissipation rate for a stratified flow in a wind tunnel
NASA Astrophysics Data System (ADS)
Puhales, Franciano Scremin; Demarco, Giuliano; Martins, Luis Gustavo Nogueira; Acevedo, Otávio Costa; Degrazia, Gervásio Annes; Welter, Guilherme Sausen; Costa, Felipe Denardin; Fisch, Gilberto Fernando; Avelar, Ana Cristina
2015-08-01
In this work a method to estimate turbulent kinetic energy dissipation rate (TKEDR) was presented. The technique uses the second-order structure function and Kolmogorov's law for inertial subrange. This methodology was applied on both neutral and stable stratification wind tunnel data, where the frozen turbulence hypothesis was assumed. The experiments were made with Reynolds Number ranging from 103 up to 104. The results show difference between the neutral and stable cases, but this gap decreases with the mean wind speed. Furthermore, TKEDR evaluated was used to describe the inertial subrange in the longitudinal velocity spectrum with a good agreement with the experimental data.
Graph-based analysis of kinetics on multidimensional potential-energy surfaces.
Okushima, T; Niiyama, T; Ikeda, K S; Shimizu, Y
2009-09-01
The aim of this paper is twofold: one is to give a detailed description of an alternative graph-based analysis method, which we call saddle connectivity graph, for analyzing the global topography and the dynamical properties of many-dimensional potential-energy landscapes and the other is to give examples of applications of this method in the analysis of the kinetics of realistic systems. A Dijkstra-type shortest path algorithm is proposed to extract dynamically dominant transition pathways by kinetically defining transition costs. The applicability of this approach is first confirmed by an illustrative example of a low-dimensional random potential. We then show that a coarse-graining procedure tailored for saddle connectivity graphs can be used to obtain the kinetic properties of 13- and 38-atom Lennard-Jones clusters. The coarse-graining method not only reduces the complexity of the graphs, but also, with iterative use, reveals a self-similar hierarchical structure in these clusters. We also propose that the self-similarity is common to many-atom Lennard-Jones clusters.
Large-scale self-tuning solid-state kinetic energy harvester
NASA Astrophysics Data System (ADS)
Pletner, Baruch; Swan, Lukas; Wettels, Nicholas; Joseph, Alain
2012-04-01
In recent years there has been a strong emphasis on kinetic (vibration) energy harvesting using smart structure technology. This emphasis has been driven in large part by industry demand for powering sensors and wireless telemetry of sensor data in places into which running power and data cables is difficult or impossible. Common examples are helicopter drive shafts and other rotating equipment. In many instances, available space in these locations is highly limited, resulting in a trend for miniaturization of kinetic energy harvesters. While in some cases size limitations are dominant, in other cases large and even very large harvesters are possible and even desirable since they may produce significantly more power. Examples of large-scale energy harvesting include geomatics, which is the discipline of gathering, storing, processing, and delivering spatially referenced information on vast scales. Geomatics relies on suites of various sensors and imaging devices such as meteorological sensors, seismographs, high-resolution cameras, and LiDAR's. These devices may be stationed for prolonged periods of time in remote and poorly accessible areas and are required to operate continuously over prolonged periods of time. In other cases, sensing and imaging equipment may be mounted on land, sea, or airborne platforms and expected to operate for many hours on its own power. Providing power to this equipment constitutes a technological challenge. Other cases may include commercial buildings, unmanned powered gliders and more. Large scale kinetic energy harvesting thus constitutes a paradigm shift in the approach to kinetic energy harvesting as a whole and as often happens it poses its own unique technological challenges. Primarily these challenges fall into two categories: the cost-effective manufacturing of large and very large scale transducing elements based on smart structure technology and the continuous optimization (tuning) of these transducers for various operating
On energy balance and the structure of radiated waves in kinetics of crystalline defects
NASA Astrophysics Data System (ADS)
Sharma, Basant Lal
2016-11-01
Traveling waves, with well-known closed form expressions, in the context of the defects kinetics in crystals are excavated further with respect to their inherent structure of oscillatory components. These are associated with, so called, Frenkel-Kontorova model with a piecewise quadratic substrate potential, corresponding to the symmetric as well as asymmetric energy wells of the substrate, displacive phase transitions in bistable chains, and brittle fracture in triangular lattice strips under mode III conditions. The paper demonstrates that the power expended theorem holds so that the sum of rate of working and the rate of total energy flux into a control strip moving steadily with the defect equals the rate of energy sinking into the defect, in the sense of N.F. Mott. In the conservative case of the Frenkel-Kontorova model with asymmetric energy wells, this leads to an alternative expression for the mobility in terms of the energy flux through radiated lattice waves. An application of the same to the case of martensitic phase boundary and a crack, propagating uniformly in bistable chains and triangular lattice strips, respectively, is also provided and the energy release is expressed in terms of the radiated energy flux directly. The equivalence between the well-known expressions and their alternative is established via an elementary identity, which is stated and proved in the paper as the zero lemma. An intimate connection between the three distinct types of defects is, thus, revealed in the framework of energy balance, via a structural similarity between the corresponding variants of the 'zero' lemma containing the information about radiated energy flux. An extension to the dissipative models, in the presence of linear viscous damping, is detailed and analog of the zero lemma is proved. The analysis is relevant to the dynamics of dislocations, brittle cracks, and martensitic phase boundaries, besides possible applications to analogous physical contexts which are
Wu, Jianlan; Tang, Zhoufei; Gong, Zhihao; Cao, Jianshu; Mukamel, Shaul
2015-04-02
The energy absorbed in a light-harvesting protein complex is often transferred collectively through aggregated chromophore clusters. For population evolution of chromophores, the time-integrated effective rate matrix allows us to construct quantum kinetic clusters quantitatively and determine the reduced cluster-cluster transfer rates systematically, thus defining a minimal model of energy-transfer kinetics. For Fenna-Matthews-Olson (FMO) and light-havrvesting complex II (LCHII) monomers, quantum Markovian kinetics of clusters can accurately reproduce the overall energy-transfer process in the long-time scale. The dominant energy-transfer pathways are identified in the picture of aggregated clusters. The chromophores distributed extensively in various clusters can assist a fast and long-range energy transfer.
On the Exchange of Kinetic and Magnetic Energy between Clouds and the Interstellar Medium
NASA Astrophysics Data System (ADS)
Miniati, Francesco; Jones, T. W.; Ryu, Dongsu
1999-05-01
We investigate, through two-dimensional MHD numerical simulations, the interaction of a uniform magnetic field oblique to a moving interstellar cloud. In particular we explore the transformation of cloud kinetic energy into magnetic energy as a result of field line stretching. Some previous simulations have emphasized the possible dynamical importance of a ``magnetic shield'' formed around clouds when the magnetic field is perpendicular to the cloud motion. It was not clear, however, how dependent those findings were on the assumed field configuration and cloud properties. To expand our understanding of this effect, we examine several new cases by varying the magnetic field orientation angle with respect to the cloud motion (θ), the cloud-background density contrast, and the cloud Mach number. We show that in two dimensions and with θ large enough, the magnetic field tension can become dominant in the dynamics of the motion of high density contrast, low Mach number clouds. In such a case, a significant fraction of the cloud's kinetic energy can be transformed into magnetic energy with the magnetic pressure at the cloud's nose exceeding the ram pressure of the impinging flow. We derive a characteristic timescale, τma, for this process of energy ``conversion.'' We find also that unless the cloud motion is highly aligned with the magnetic field, reconnection through tearing-mode instabilities in the cloud wake limits the formation of a strong flux-rope feature following the cloud. Finally we attempt to interpret some observed properties of the magnetic field in view of our results.
Sengbusch, E.; Pérez-Andújar, A.; DeLuca, P. M.; Mackie, T. R.
2009-01-01
Several compact proton accelerator systems for use in proton therapy have recently been proposed. Of paramount importance to the development of such an accelerator system is the maximum kinetic energy of protons, immediately prior to entry into the patient, that must be reached by the treatment system. The commonly used value for the maximum kinetic energy required for a medical proton accelerator is 250 MeV, but it has not been demonstrated that this energy is indeed necessary to treat all or most patients eligible for proton therapy. This article quantifies the maximum kinetic energy of protons, immediately prior to entry into the patient, necessary to treat a given percentage of patients with rotational proton therapy, and examines the impact of this energy threshold on the cost and feasibility of a compact, gantry-mounted proton accelerator treatment system. One hundred randomized treatment plans from patients treated with IMRT were analyzed. The maximum radiological pathlength from the surface of the patient to the distal edge of the treatment volume was obtained for 180° continuous arc proton therapy and for 180° split arc proton therapy (two 90° arcs) using CT# profiles from the Pinnacle™ (Philips Medical Systems, Madison, WI) treatment planning system. In each case, the maximum kinetic energy of protons, immediately prior to entry into the patient, that would be necessary to treat the patient was calculated using proton range tables for various media. In addition, Monte Carlo simulations were performed to quantify neutron production in a water phantom representing a patient as a function of the maximum proton kinetic energy achievable by a proton treatment system. Protons with a kinetic energy of 240 MeV, immediately prior to entry into the patient, were needed to treat 100% of patients in this study. However, it was shown that 90% of patients could be treated at 198 MeV, and 95% of patients could be treated at 207 MeV. Decreasing the proton kinetic
Kinetic energy of shakeoff atomic electrons from 37K β+ decay
NASA Astrophysics Data System (ADS)
Behr, J. A.; Gorelov, A.; Farfan, C.; Smale, S.; Olchanski, K.; Kurchananov, L.; Anholm, M.; Behling, R. S.; Fenker, B.; Shidling, P. D.; Mehlman, M.; Melconian, D.; Ashery, D.; Gwinner, G.; Trinat Collaboration
2013-10-01
We have measured the kinetic energies from 0 to 30 eV of atomic shakeoff electrons from the β+ decay of 37K. Despite much experimental and theoretical work on the distribution of final ion charge states, shakeoff electrons from β- decay have only been measured with energies above 150 eV [Mitrokhovich, Nucl. Phys. Atom. Energy, 11, 125 (2010)]. We use our magneto-optical trap's time-varying magnetic quadrupole field combined with a uniform electric field as a spectrometer. Our result has more 15 eV electrons than a model using the sudden approximation and hydrogenic wavefunctions [Levinger, Phys. Rev. 90, 11 (1958)]. The total energy carried away by electrons is, as expected, a negligible correction to superallowed Ft values. Understanding the energy of these low-energy electrons is important for their use in precision β decay to select events coming from trapped atoms and start time-of-flight for the recoil ions. Our results could provide a benchmark for shakeoff electron calculations used for biological radiation damage [Lee, Comp. Math. Meth in Medicine doi:10.1155/2012/651475]. Support: NSERC, NRC through TRIUMF, DOE ER41747 ER40773, State of Texas, Israel Science Foundation.
NASA Astrophysics Data System (ADS)
Kohnert, Aaron Anthony
The mechanical properties of materials are often degraded over time by exposure to irradiation environments, a phenomenon that has hindered the development of multiple nuclear reactor design concepts. Such property changes are the result of microstructural changes induced by the collision of high energy particles with the atoms in a material. The lattice defects generated in these recoil events migrate and interact to form extended damage structures. This study has used theoretical models based on the mean field chemical reaction rate theory to analyze the aggregation of isolated lattice defects into larger microstructural features that are responsible for long term property changes, focusing on the development of black dot damage in ferritic iron based alloys. The purpose of such endeavors is two-fold. Primarily, such models explain and quantify the processes through which these microstructures form. Additionally, models provide insight into the behavior and properties of the point defects and defect clusters which drive general microstructural evolution processes. The modeling effort presented in this work has focused on physical fidelity, drawing from a variety of sources of information to characterize the unobservable defect generation and agglomeration processes that give rise to the observable features reported in experimental data. As such, the models are based not solely on isolated point defect creation, as is the case with many older rate theory approaches, but instead on realistic estimates of the defect cluster population produced in high energy cascade damage events. Experimental assessments of the microstructural changes evident in transmission electron microscopy studies provide a means to measure the efficacy of the kinetic models. Using common assumptions of the mobility of defect clusters generated in cascade damage conditions, an unphysically high density of damage features develops at the temperatures of interest with a temperature dependence
Zaccone, Alessio; Gentili, Daniele; Wu, Hua; Morbidelli, Massimo
2010-04-07
The aggregation of interacting brownian particles in sheared concentrated suspensions is an important issue in colloid and soft matter science per se. Also, it serves as a model to understand biochemical reactions occurring in vivo where both crowding and shear play an important role. We present an effective medium approach within the Smoluchowski equation with shear which allows one to calculate the encounter kinetics through a potential barrier under shear at arbitrary colloid concentrations. Experiments on a model colloidal system in simple shear flow support the validity of the model in the concentration range considered. By generalizing Kramers' rate theory to the presence of shear and collective hydrodynamics, our model explains the significant increase in the shear-induced reaction-limited aggregation kinetics upon increasing the colloid concentration.
Kinetics of the cellular intake of a gene expression inducer at high concentrations.
Tran, Huy; Oliveira, Samuel M D; Goncalves, Nadia; Ribeiro, Andre S
2015-09-01
From in vivo single-event measurements of the transient and steady-state transcription activity of a single-copy lac-ara-1 promoter in Escherichia coli, we characterize the intake kinetics of its inducer (IPTG) from the media. We show that the empirical data are well-fit by a model of intake assuming a bilayer membrane, with the passage through the second layer being rate-limiting, coupled to a stochastic, sub-Poissonian, multi-step transcription process. Using this model, we show that for a wide range of extracellular inducer levels (up to 1.25 mM) the intake process is diffusive-like, suggesting unsaturated membrane permeability. Inducer molecules travel from the periplasm to the cytoplasm in, on average, 31.7 minutes, strongly affecting cells' response time. The novel methodology followed here should aid the study of cellular intake mechanisms at the single-event level.
Cars and Kinetic Energy -- Some Simple Physics with Real-World Relevance
NASA Astrophysics Data System (ADS)
Parthasarathy, Raghuveer
2012-10-01
Understanding energy usage is crucial to understanding modern civilization, as well as many of the challenges it faces. Energy-related issues also offer real-world examples of important physical concepts, and as such have been the focus of several articles in The Physics Teacher in the past few decades (e.g., Refs. 1-5, noted further below). Here, I illustrate how a basic understanding of kinetic energy—a topic encountered early in any introductory physics course—enables significant insights into the nature of automobile transportation. Specifically, we can accurately predict how much power the average driver in the United States uses, and explain what determines this, without needing to consider any aspects of mechanical engineering or engine design.
Low-energy signals from kinetic mixing with a warped abelian hidden sector
NASA Astrophysics Data System (ADS)
McDonald, Kristian L.; Morrissey, David E.
2011-02-01
We investigate the detailed phenomenology of a light Abelian hidden sector in the Randall-Sundrum framework. Relative to other works with light hidden sectors, the main new feature is a tower of hidden Kaluza-Klein vectors that kinetically mix with the Standard Model photon and Z. We investigate the decay properties of the hidden sector fields in some detail, and develop an approach for calculating processes initiated on the ultraviolet brane of a warped space with large injection momentum relative to the infrared scale. Using these results, we determine the detailed bounds on the light warped hidden sector from precision electroweak measurements and low-energy experiments. We find viable regions of parameter space that lead to significant production rates for several of the hidden Kaluza-Klein vectors in meson factories and fixed-target experiments. This offers the possibility of exploring the structure of an extra spacetime dimension with lower-energy probes.
Enhancing Understanding of High Energy Density Plasmas Using Fluid Modeling with Kinetic Closures
NASA Astrophysics Data System (ADS)
Hansen, David; Held, Eric; Srinivasan, Bhuvana; Masti, Robert; King, Jake
2016-10-01
This work seeks to understand possible stabilization mechanisms of the early-time electrothermal instability in the evolution of the Rayleigh-Taylor instability in MagLIF (Magnetized Liner Inertial Fusion) experiments. Such mechanisms may include electron thermal conduction, viscosity, and large magnetic fields. Experiments have shown that the high-energy density plasmas from wire-array implosions require physics modelling that goes well beyond simple models such as ideal MHD. The plan is to develop a multi-fluid extended-MHD model that includes kinetic closures for thermal conductivity, resistivity, and viscosity using codes that are easily available to the wider research community. Such an effort would provide the community with a well-benchmarked tool capable of advanced modeling of high-energy-density plasmas.
Dependence of single-walled carbon nanotube adsorption kinetics on temperature and binding energy.
Rawat, D S; Krungleviciute, V; Heroux, L; Bulut, M; Calbi, M M; Migone, A D
2008-12-02
We present results for the isothermal adsorption kinetics of methane, hydrogen, and tetrafluoromethane on closed-ended single-walled carbon nanotubes. In these experiments, we monitor the pressure decrease as a function of time as equilibrium is approached, after a dose of gas is added to the cell containing the nanotubes. The measurements were performed at different fractional coverages limited to the first layer. The results indicate that, for a given coverage and temperature, the equilibration time is an increasing function of E/(k(B)T), where E is the binding energy of the adsorbate and k(B)T is the thermal energy. These findings are consistent with recent theoretical predictions and computer simulations results that we use to interpret the experimental measurements.
Koitaya, Takanori; Shimizu, Sumera; Mukai, Kozo; Yoshimoto, Shinya; Yoshinobu, Jun
2012-06-07
Novel isotope effects were observed in desorption kinetics and adsorption geometry of cyclohexane on Rh(111) by the use of infrared reflection absorption spectroscopy, temperature programmed desorption, photoelectron spectroscopy, and spot-profile-analysis low energy electron diffraction. The desorption energy of deuterated cyclohexane (C(6)D(12)) is lower than that of C(6)H(12). In addition, the work function change by adsorbed C(6)D(12) is smaller than that by adsorbed C(6)H(12). These results indicate that C(6)D(12) has a shallower adsorption potential than C(6)H(12) (vertical geometric isotope effect). The lateral geometric isotope effect was also observed in the two-dimensional cyclohexane superstructures as a result of the different repulsive interaction between interfacial dipoles. The observed isotope effects should be ascribed to the quantum nature of hydrogen involved in the C-H···metal interaction.
NASA Astrophysics Data System (ADS)
Lantz, Jonas; Ebbers, Tino; Karlsson, Matts
2012-11-01
In this study, turbulent kinetic energy (TKE) in an aortic coarctation was studied using both a numerical technique (large eddy simulation, LES) and in vivo measurements using magnetic resonance imaging (MRI). High levels of TKE are undesirable, as kinetic energy is extracted from the mean flow to feed the turbulent fluctuations. The patient underwent surgery to widen the coarctation, and the flow before and after surgery was computed and compared to MRI measurements. The resolution of the MRI was about 7 × 7 voxels in axial cross-section while 50x50 mesh cells with increased resolution near the walls was used in the LES simulation. In general, the numerical simulations and MRI measurements showed that the aortic arch had no or very low levels of TKE, while elevated values were found downstream the coarctation. It was also found that TKE levels after surgery were lowered, indicating that the diameter of the constriction was increased enough to decrease turbulence effects. In conclusion, both the numerical simulation and MRI measurements gave very similar results, thereby validating the simulations and suggesting that MRI measured TKE can be used as an initial estimation in clinical practice, while LES results can be used for detailed quantification and further research of aortic flows.
Fully-kinetic simulations of the Rayleigh-Taylor instability in high-energy-density plasmas
NASA Astrophysics Data System (ADS)
Alves, E. Paulo; Mori, Warren B.; Fiuza, Frederico
2016-10-01
The Rayleigh-Taylor instability (RTI) in high-energy-density (HED) plasmas is a central problem in a wide range of scenarios. It dictates, for instance, the dynamics of supernovae in astrophysical plasmas, and is also recognized as a critical challenge to achieving ignition in inertial confinement fusion. In some of these conditions the Larmor radius or Coulomb mean free path (m.f.p.) is finite, allowing kinetic effects to become important, and it is not fully clear how the development of the RTI deviates from standard hydrodynamic behavior. In order to obtain an accurate description of the RTI in these HED conditions it is essential to capture the self-consistent interplay between collisional and collisionless plasma processes, and the role of self-generated electric and magnetic fields. We have explored the dynamics of the RTI in HED plasma conditions using first-principles particle-in-cell simulations combined with Monte Carlo binary collisions. Our simulations capture the role of kinetic diffusion as well as the self-generated electric (e.g. space-charge) and magnetic (e.g. Biermann battery) fields on the growth rate and nonlinear evolution of the RTI for different plasma conditions. We will discuss how different collisional m.f.p. relative to the collisionless plasma skin depth affect the RTI development. This work was supported by the DOE Office of Science, Fusion Energy Science (FWP 100182).
Kinetic energy density and agglomerate abrasion rate during blending of agglomerates into powders.
Willemsz, Tofan A; Hooijmaijers, Ricardo; Rubingh, Carina M; Tran, Thanh N; Frijlink, Henderik W; Vromans, Herman; van der Voort Maarschalk, Kees
2012-01-23
Problems related to the blending of a cohesive powder with a free flowing bulk powder are frequently encountered in the pharmaceutical industry. The cohesive powder often forms lumps or agglomerates which are not dispersed during the mixing process and are therefore detrimental to blend uniformity. Achieving sufficient blend uniformity requires that the blending conditions are able to break up agglomerates, which is often an abrasion process. This study was based on the assumption that the abrasion rate of agglomerates determines the required blending time. It is shown that the kinetic energy density of the moving powder bed is a relevant parameter which correlates with the abrasion rate of agglomerates. However, aspects related to the strength of agglomerates should also be considered. For this reason the Stokes abrasion number (St(Abr)) has been defined. This parameter describes the ratio between the kinetic energy density of the moving powder bed and the work of fracture of the agglomerate. The St(Abr) number is shown to predict the abrasion potential of agglomerates in the dry-mixing process. It appeared possible to include effects of filler particle size and impeller rotational rate into this concept. A clear relationship between abrasion rate of agglomerates and the value of St(Abr) was demonstrated.
A kinetic energy model of two-vehicle crash injury severity.
Sobhani, Amir; Young, William; Logan, David; Bahrololoom, Sareh
2011-05-01
An important part of any model of vehicle crashes is the development of a procedure to estimate crash injury severity. After reviewing existing models of crash severity, this paper outlines the development of a modelling approach aimed at measuring the injury severity of people in two-vehicle road crashes. This model can be incorporated into a discrete event traffic simulation model, using simulation model outputs as its input. The model can then serve as an integral part of a simulation model estimating the crash potential of components of the traffic system. The model is developed using Newtonian Mechanics and Generalised Linear Regression. The factors contributing to the speed change (ΔV(s)) of a subject vehicle are identified using the law of conservation of momentum. A Log-Gamma regression model is fitted to measure speed change (ΔV(s)) of the subject vehicle based on the identified crash characteristics. The kinetic energy applied to the subject vehicle is calculated by the model, which in turn uses a Log-Gamma Regression Model to estimate the Injury Severity Score of the crash from the calculated kinetic energy, crash impact type, presence of airbag and/or seat belt and occupant age.
The Effects of Kinetic Energy on Concentric and Eccentric Isokinetic Work
Boggess, Brian; Moffit, Jeff; Morales, Jacobo; Anderson, Tim
2008-01-01
This investigation examined inertial effects on work output during isokinetic concentric knee extension and eccentric knee flexion. Total work (Wtotal) included work due to kinetic energy (Wkin), with respect to gravity (Wgrav), and against the dynamometer (Wdyn). Eighteen resistance-trained participants (9 males, 9 females) performed maximal voluntary concentric (90, 150, 210, 270 deg/s) and eccentric (-150, -90, -30 deg/s) actions with the dominant leg. Differences between work measurement type (WMT), i.e., gravity-corrected work and Wtotal, were assessed. ANOVA (2 WMT x 2 mode x 2 gender x 4 speed) revealed significant main effects (p < 0. 05) for both factors concentrically but only for WMT eccentrically. It was concluded that the effect of kinetic energy during isokinetic leg extension may elicit differences in measurement where the associated error (Kerr) significantly increases with increasing velocity concentrically and decreases eccentrically. Key pointsTotal isokinetic work is underestimated by standard gravity corrected techniques.Standard gravity corrected work measurements overestimate isometric eccentric total work.The overestimation of isometric eccentric total work increases with greater angular velocity. PMID:24150138
NASA Technical Reports Server (NTRS)
Kim, S.-W.; Chen, C.-P.
1987-01-01
A multiple-time-scale turbulence model of a single point closure and a simplified split-spectrum method is presented. In the model, the effect of the ratio of the production rate to the dissipation rate on eddy viscosity is modeled by use of the multiple-time-scales and a variable partitioning of the turbulent kinetic energy spectrum. The concept of a variable partitioning of the turbulent kinetic energy spectrum and the rest of the model details are based on the previously reported algebraic stress turbulence model. Example problems considered include: a fully developed channel flow, a plane jet exhausting into a moving stream, a wall jet flow, and a weakly coupled wake-boundary layer interaction flow. The computational results compared favorably with those obtained by using the algebraic stress turbulence model as well as experimental data. The present turbulence model, as well as the algebraic stress turbulence model, yielded significantly improved computational results for the complex turbulent boundary layer flows, such as the wall jet flow and the wake boundary layer interaction flow, compared with available computational results obtained by using the standard kappa-epsilon turbulence model.
Hypovalency--a kinetic-energy density description of a 4c-2e bond.
Jacobsen, Heiko
2009-06-07
A bond descriptor based on the kinetic energy density, the localized-orbital locator (LOL), is used to characterize the nature of the chemical bond in electron deficient multi-center bonds. The boranes B(2)H(6), B(4)H(4), B(4)H(10), [B(6)H(6)](2-), and [B(6)H(7)](-) serve as prototypical examples of hypovalent 3c-2e and 4c-2e bonding. The kinetic energy density is derived from a set of Kohn-Sham orbitals obtained from pure density functional calculations (PBE/TZVP), and the topology of LOL is analyzed in terms of (3,-3) attractors (Gamma). The B-B-B and B-H-B 3c-2e, and the B-B-H-B 4c-2e bonding situations are defined by their own characteristic LOL profiles. The presence of one attractor in relation to the three or four atoms that are engaged in electron deficient bonding provides sufficient indication of the type of 3c-2e or 4c-2e bond present. For the 4c-2e bond in [B(6)H(7)](-) the LOL analysis is compared to results from an experimental QTAIM study.
Kinetic energy entrainment in wind turbine and actuator disc wakes: an experimental analysis
NASA Astrophysics Data System (ADS)
Lignarolo, L. E. M.; Ragni, D.; Simão Ferreira, C. J.; van Bussel, G. J. W.
2014-06-01
The present experimental study focuses on the comparison between the wake of a two-bladed wind turbine and the one of an actuator disk. The flow field at the middle plane of the wake is measured with a stereoscopic particle image velocimetry setup, in the low-speed Open Jet Facility wind tunnel of the Delft University of Technology. The wind turbine wake is characterized by the complex dynamics of the tip vortex development and breakdown. Analysis of the flow statistics show anisotropic turbulent fluctuations in the turbine wake, with stronger components in the radial direction. The wake of the actuator disc is instead characterized by isotropic random fluctuations. The mixing process in the shear layer is further analysed in terms of flux of mean flow kinetic energy, to show the main differences between the kinetic energy entrainment in the actuator and the turbine wake. This project is intended to provide the basis for understanding the origin of the limitations of the current wake models based on the actuator disc assumption.
Kinetic analysis and energy efficiency of phenol degradation in a plasma-photocatalysis system.
Wang, Hui-juan; Chen, Xiao-yang
2011-02-28
Combination of two kinds of advanced oxidation processes (AOPs) is an effective approach to control wastewater pollution. In this research, a pulsed discharge plasma system with multi-point-to-plate electrode and an immobilized TiO(2) photocatalysis system is coupled to oxidize target pollutant in aqueous solution. Kinetic analysis (pseudo-first order kinetic constant, k) and energy efficiency (energy yield value at 50% phenol conversion, G(50)) of phenol oxidation in different reaction systems (plasma alone and plasma-photocatalysis) are reviewed to account for the synergistic mechanism of plasma and photocatalysis. The experimental results show that higher k and G(50) of phenol oxidation can be obtained in the plasma-photocatalysis system under the conditions of different gas bubbling varieties, initial solution pH and radical scavenger addition. Moreover, the investigation tested hydroxyl radical (OH) is the most important species for phenol removal in the synergistic system of plasma-photocatalysis as well as in the plasma alone system.
Young, R M; Arnette, J K; Roess, D A; Barisas, B G
1994-01-01
We describe practical aspects of photobleaching fluorescence energy transfer measurements on individual living cells. The method introduced by T. M. Jovin and co-workers (see, most recently, Kubitscheck et al. 1993. Biophys. J. 64:110) is based on the reduced rate of irreversible photobleaching of donor fluorophores when acceptor fluorophores are present. Measuring differences in donor photobleaching rates on cells labeled with donor only (fluorescein isothiocyanate-conjugated proteins) and with both donor and acceptor (tetramethylrhodamine-conjugated proteins) allows calculation of the fluorescence energy transfer efficiency. We assess possible methods of data analysis in light of the underlying processes of photobleaching and energy transfer and suggest optimum strategies for this purpose. Single murine B lymphocytes binding various ratios of donor and acceptor conjugates of tetravalent concanavalin A (Con A) and divalent succinyl Con A were examined for interlectin energy transfer by these methods. For Con A, a maximum transfer efficiency of 0.49 +/- 0.02 was observed. Under similar conditions flow cytometric measurements of donor quenching yielded a value of 0.54 +/- 0.03. For succinyl Con A, the maximum transfer efficiency was 0.36. To provide concrete examples of quantities arising in such energy transfer determinations, we present examples of individual cell data and kinetic analyses, population rate constant distributions, and error estimates for the various quantities involved. PMID:7948701
NASA Astrophysics Data System (ADS)
Shantappa, A.; Hanagodimath, S. M.
2014-01-01
Effective atomic numbers, electron densities of some vitamins (Retinol, Riboflavin, Niacin, Biotin, Folic acid, Cobalamin, Phylloquinone and Flavonoids) composed of C, H, O, N, Co, P and S have been calculated for total and partial photon interactions by the direct method for energy range 1 keV-100 GeV by using WinXCOM and kinetic energy released in matter (Kerma) relative to air is calculated in energy range of 1 keV-20 MeV. Change in effective atomic number and electron density with energy is calculated for all photon interactions. Variation of photon mass attenuation coefficients with energy are shown graphically only for total photon interaction. It is observed that change in mass attenuation coefficient with composition of different chemicals is very large below 100 keV and moderate between 100 keV and 10 MeV and negligible above 10 MeV. Behaviour of vitamins is almost indistinguishable except biotin and cobalamin because of large range of atomic numbers from 1(H) to 16 (S) and 1(H) to 27(Co) respectively. K a value shows a peak due to the photoelectric effect around K-absorption edge of high- Z constituent of compound for biotin and cobalamin.
NASA Astrophysics Data System (ADS)
Gorlé, C.; van Beeck, J.; Rambaud, P.; Van Tendeloo, G.
When considering the modelling of small particle dispersion in the lower part of the Atmospheric Boundary Layer (ABL) using Reynolds Averaged Navier Stokes simulations, the particle paths depend on the velocity profile and on the turbulence kinetic energy, from which the fluctuating velocity components are derived to predict turbulent dispersion. It is therefore important to correctly reproduce the ABL, both for the velocity profile and the turbulence kinetic energy profile. For RANS simulations with the standard k- ɛ model, Richards and Hoxey (1993. Appropriate boundary conditions for computational wind engineering models using the k-ɛ turbulence model. Journal of Wind Engineering and Industrial Aerodynamics 46-47, 145-153.) proposed a set of boundary conditions which result in horizontally homogeneous profiles. The drawback of this method is that it assumes a constant profile of turbulence kinetic energy, which is not always consistent with field or wind tunnel measurements. Therefore, a method was developed which allows the modelling of a horizontally homogeneous turbulence kinetic energy profile that is varying with height. By comparing simulations performed with the proposed method to simulations performed with the boundary conditions described by Richards and Hoxey (1993. Appropriate boundary conditions for computational wind engineering models using the k-ɛ turbulence model. Journal of Wind Engineering and Industrial Aerodynamics 46-47, 145-153.), the influence of the turbulence kinetic energy on the dispersion of small particles over flat terrain is quantified.
NASA Astrophysics Data System (ADS)
Ding, Weixing; Lin, Liang; Duff, J. R.; Brower, D. L.; Sarff, J. S.
2014-10-01
In the MST reversed field pinch (RFP), the evolution of core tearing mode nonlinear evolution is partially determined by the electron current density profile along with nonlinear interactions among multiple tearing modes. Density fluctuations driven by intrinsic magnetic perturbations are usually large, approximately 1%, in RFP plasmas. These density fluctuations can modify the current density profile via the kinetic dynamo effect, defined as the correlated product of parallel electron pressure and radial magnetic field fluctuations, which alters the temporal dynamics of tearing modes in MST. A component of the kinetic dynamo originating from the correlated product of density and radial magnetic fluctuations has been measured using a high-speed, low phase noise polarimetry-interferometry diagnostic. Between sawtooth crashes it is found that the measured kinetic dynamo has finite amplitude that generates an anti-dynamo in the plasma core, which would tend to flatten the current density profile. These measurements suggest that density fluctuations passively driven by magnetic fluctuations can actively alter tearing modes via fluctuation-induced current transport. Work supported by US DOE and NSF.
NASA Astrophysics Data System (ADS)
Rabbani, Faride; Hormozi Nezhad, Mohammad Reza; Abdollahi, Hamid
2013-11-01
This study describes spectrometric monitored kinetic processes to determine the size of citrate-capped Au nanoparticles (Au NPs) based on aggregation induced by L-cysteine (L-Cys) as a molecular linker. The Au NPs association process is thoroughly dependent on pH, concentration and size of nanoparticles. Size dependency of aggregation inspirits to determine the average diameters of Au NPs. For this aim the procedure is achieved in aqueous medium at pH 7 (phosphate buffer), and multivariate data including kinetic spectra of Au NPs are collected during aggregation process. Subsequently partial least squares (PLS) modeling is carried out analyzing the obtained data. The model is built on the basis of relation between the kinetics behavior of aggregation and different Au NPs sizes. Training the model was performed using latent variables (LVs) of the original data. The analytical performance of the model was characterized by relative standard error. The proposed method was applied to determination of size in unknown samples. The predicted sizes of unknown samples that obtained by the introduced method are interestingly in agreement with the sizes measured by Transmission Electron Microscopy (TEM) images and Dynamic Light Scattering (DLS) measurement.
Rabbani, Faride; Hormozi Nezhad, Mohammad Reza; Abdollahi, Hamid
2013-11-01
This study describes spectrometric monitored kinetic processes to determine the size of citrate-capped Au nanoparticles (Au NPs) based on aggregation induced by l-cysteine (l-Cys) as a molecular linker. The Au NPs association process is thoroughly dependent on pH, concentration and size of nanoparticles. Size dependency of aggregation inspirits to determine the average diameters of Au NPs. For this aim the procedure is achieved in aqueous medium at pH 7 (phosphate buffer), and multivariate data including kinetic spectra of Au NPs are collected during aggregation process. Subsequently partial least squares (PLS) modeling is carried out analyzing the obtained data. The model is built on the basis of relation between the kinetics behavior of aggregation and different Au NPs sizes. Training the model was performed using latent variables (LVs) of the original data. The analytical performance of the model was characterized by relative standard error. The proposed method was applied to determination of size in unknown samples. The predicted sizes of unknown samples that obtained by the introduced method are interestingly in agreement with the sizes measured by Transmission Electron Microscopy (TEM) images and Dynamic Light Scattering (DLS) measurement.
65Zn kinetics as a biomarker of DMH induced colon carcinogenesis.
Chadha, Vijayta Dani; Dhawan, Davinder
2010-01-01
Dietary factors are considered crucial for the prevention of initiating events in the multistep progression of colon carcinoma. There is substantial evidence that zinc may play a pivotal role in host defense against several malignancies, including colon cancer. The present study was conducted to evaluate the kinetics of (65)Zn utilization following experimental colon carcinogenesis in rat model. Twenty rats were segregated into two groups viz., untreated control and dimethylhydrazine (DMH) treated. Colon carcinogenesis was established through weekly subcutaneous injections of DMH (30 mg/kg body weight) for 16 weeks. Whole body (65)Zn kinetics followed two compartment kinetics, with Tb(1) representing the initial fast component of the biological half-life and Tb(2), the slower component. The present study revealed a significant depression in the Tb(1) and Tb(2) components of (65)Zn in DMH treated rats. Further, DMH treatment caused a significant increase in the percent uptake values of (65)Zn in the colon, small intestine, kidney and blood, whereas a significant decrease was observed in the liver. Subcellular distribution revealed a significant increase in (65)Zn uptake in the mitochondrial and microsomal fractions following 16 weeks of DMH supplementation. In conclusion, the present study demonstrated a slow mobilization of (65)Zn during promotion of experimentally induced colon carcinogenesis and provides a physiological basis for the role of (65)Zn in colon tumorigenesis, which may have clinical implications in the management of colon cancer.
NASA Astrophysics Data System (ADS)
Adamovic, D.; Münger, E. P.; Chirita, V.; Hultman, L.; Greene, J. E.
2005-05-01
Embedded-atom molecular dynamics simulations are used to investigate the effects of low-energy self-ion irradiation of Pt adatoms on Pt(111). Here, we concentrate on self-bombardment dynamics, i.e., isolating and monitoring the atomic processes, induced by normally incident Pt atoms with energies E ranging from 5 to 50 eV, that can affect intra- and interlayer mass transport.. We find that adatom scattering, surface channeling, and dimer formation occur at all energies. Atomic intermixing events involving incident and terrace atoms are observed at energies ⩾15eV, while the collateral formation of residual surface vacancies is observed only with E >40eV. The overall effect of low-energy self-ion irradiation is to enhance lateral adatom and terrace atom migration.
NASA Astrophysics Data System (ADS)
Su, Ting; Li, Xiangyong; Liu, Nisha; Pan, Shaotao; Lu, Jinling; Yang, Jie; Zhang, Zhihong
2012-07-01
Reversible oxidation is emerging as an important regulatory mechanism in protein tyrosine phosphorylation. Generation of hydrogen peroxide (H2O2), upon growth factor stimulation, is hypothesized to inhibit activity of protein tyrosine phosphatases (PTPs). This ensures that protein tyrosine kinases can elevate the steady-state level of protein tyrosine phosphorylation, which then allows propagation of the tyrosine phosphorylation signal. However, the effects of H2O2 on the kinetics of tyrosine phosphorylation signaling remain poorly understood, especially in living cells. Therefore, we used a genetically encoded Src kinase-specific biosensor based on fluorescence resonance energy transfer (FRET) to image the kinetics of the Src-mediated tyrosine phosphorylation signaling (Src signaling) induced by epidermal growth factor (EGF). We examined the kinetics under increased and decreased H2O2 levels. Through a straightforward, quantitative analysis method which characterized the signaling kinetics, we demonstrated that H2O2 modulated the amplitude and duration of the signal by inhibiting PTPs' activity. Our evidence also suggested the effect of H2O2 on Src activation is mediated by H2O2-dependent inhibition of PTPs. Furthermore, we provide evidence showing global elevation of intracellular H2O2 level attenuates EGF-induced Src signaling.
Karlsson, Johan; Atefyekta, Saba; Andersson, Martin
2015-01-01
The osseointegration capacity of bone-anchoring implants can be improved by the use of drugs that are administrated by an inbuilt drug delivery system. However, to attain superior control of drug delivery and to have the ability to administer drugs of varying size, including proteins, further material development of drug carriers is needed. Mesoporous materials have shown great potential in drug delivery applications to provide and maintain a drug concentration within the therapeutic window for the desired period of time. Moreover, drug delivery from coatings consisting of mesoporous titania has shown to be promising to improve healing of bone-anchoring implants. Here we report on how the delivery of an osteoporosis drug, alendronate, can be controlled by altering pore size and surface energy of mesoporous titania thin films. The pore size was varied from 3.4 nm to 7.2 nm by the use of different structure-directing templates and addition of a swelling agent. The surface energy was also altered by grafting dimethylsilane to the pore walls. The drug uptake and release profiles were monitored in situ using quartz crystal microbalance with dissipation (QCM-D) and it was shown that both pore size and surface energy had a profound effect on both the adsorption and release kinetics of alendronate. The QCM-D data provided evidence that the drug delivery from mesoporous titania films is controlled by a binding-diffusion mechanism. The yielded knowledge of release kinetics is crucial in order to improve the in vivo tissue response associated to therapeutic treatments.
Karlsson, Johan; Atefyekta, Saba; Andersson, Martin
2015-01-01
The osseointegration capacity of bone-anchoring implants can be improved by the use of drugs that are administrated by an inbuilt drug delivery system. However, to attain superior control of drug delivery and to have the ability to administer drugs of varying size, including proteins, further material development of drug carriers is needed. Mesoporous materials have shown great potential in drug delivery applications to provide and maintain a drug concentration within the therapeutic window for the desired period of time. Moreover, drug delivery from coatings consisting of mesoporous titania has shown to be promising to improve healing of bone-anchoring implants. Here we report on how the delivery of an osteoporosis drug, alendronate, can be controlled by altering pore size and surface energy of mesoporous titania thin films. The pore size was varied from 3.4 nm to 7.2 nm by the use of different structure-directing templates and addition of a swelling agent. The surface energy was also altered by grafting dimethylsilane to the pore walls. The drug uptake and release profiles were monitored in situ using quartz crystal microbalance with dissipation (QCM-D) and it was shown that both pore size and surface energy had a profound effect on both the adsorption and release kinetics of alendronate. The QCM-D data provided evidence that the drug delivery from mesoporous titania films is controlled by a binding–diffusion mechanism. The yielded knowledge of release kinetics is crucial in order to improve the in vivo tissue response associated to therapeutic treatments. PMID:26185444
Nikitin, A V; Rey, M; Tyuterev, Vl G
2015-03-07
A simultaneous use of the full molecular symmetry and of an exact kinetic energy operator (KEO) is of key importance for accurate predictions of vibrational levels at a high energy range from a potential energy surface (PES). An efficient method that permits a fast convergence of variational calculations would allow iterative optimization of the PES parameters using experimental data. In this work, we propose such a method applied to tetrahedral AB4 molecules for which a use of high symmetry is crucial for vibrational calculations. A symmetry-adapted contracted angular basis set for six redundant angles is introduced. Simple formulas using this basis set for explicit calculation of the angular matrix elements of KEO and PES are reported. The symmetric form (six redundant angles) of vibrational KEO without the sin(q)(-2) type singularity is derived. The efficient recursive algorithm based on the tensorial formalism is used for the calculation of vibrational matrix elements. A good basis set convergence for the calculations of vibrational levels of the CH4 molecule is demonstrated.
Nikitin, A. V.; Rey, M.; Tyuterev, Vl. G.
2015-03-07
A simultaneous use of the full molecular symmetry and of an exact kinetic energy operator (KEO) is of key importance for accurate predictions of vibrational levels at a high energy range from a potential energy surface (PES). An efficient method that permits a fast convergence of variational calculations would allow iterative optimization of the PES parameters using experimental data. In this work, we propose such a method applied to tetrahedral AB{sub 4} molecules for which a use of high symmetry is crucial for vibrational calculations. A symmetry-adapted contracted angular basis set for six redundant angles is introduced. Simple formulas using this basis set for explicit calculation of the angular matrix elements of KEO and PES are reported. The symmetric form (six redundant angles) of vibrational KEO without the sin(q){sup −2} type singularity is derived. The efficient recursive algorithm based on the tensorial formalism is used for the calculation of vibrational matrix elements. A good basis set convergence for the calculations of vibrational levels of the CH{sub 4} molecule is demonstrated.
Kinetic model for the vibrational energy exchange in flowing molecular gas mixtures. Ph.D. Thesis
NASA Technical Reports Server (NTRS)
Offenhaeuser, F.
1987-01-01
The present study is concerned with the development of a computational model for the description of the vibrational energy exchange in flowing gas mixtures, taking into account a given number of energy levels for each vibrational degree of freedom. It is possible to select an arbitrary number of energy levels. The presented model uses values in the range from 10 to approximately 40. The distribution of energy with respect to these levels can differ from the equilibrium distribution. The kinetic model developed can be employed for arbitrary gaseous mixtures with an arbitrary number of vibrational degrees of freedom for each type of gas. The application of the model to CO2-H2ON2-O2-He mixtures is discussed. The obtained relations can be utilized in a study of the suitability of radiation-related transitional processes, involving the CO2 molecule, for laser applications. It is found that the computational results provided by the model agree very well with experimental data obtained for a CO2 laser. Possibilities for the activation of a 16-micron and 14-micron laser are considered.
Proton transfer pathways, energy landscape, and kinetics in creatine-water systems.
Ivchenko, Olga; Whittleston, Chris S; Carr, Joanne M; Imhof, Petra; Goerke, Steffen; Bachert, Peter; Wales, David J
2014-02-27
We study the exchange processes of the metabolite creatine, which is present in both tumorous and normal tissues and has NH2 and NH groups that can transfer protons to water. Creatine produces chemical exchange saturation transfer (CEST) contrast in magnetic resonance imaging (MRI). The proton transfer pathway from zwitterionic creatine to water is examined using a kinetic transition network constructed from the discrete path sampling approach and an approximate quantum-chemical energy function, employing the self-consistent-charge density-functional tight-binding (SCC-DFTB) method. The resulting potential energy surface is visualized by constructing disconnectivity graphs. The energy landscape consists of two distinct regions corresponding to the zwitterionic creatine structures and deprotonated creatine. The activation energy that characterizes the proton transfer from the creatine NH2 group to water was determined from an Arrhenius fit of rate constants as a function of temperature, obtained from harmonic transition state theory. The result is in reasonable agreement with values obtained in water exchange spectroscopy (WEX) experiments.
Isospin quartic term in the kinetic energy of neutron-rich nucleonic matter
NASA Astrophysics Data System (ADS)
Cai, Bao-Jun; Li, Bao-An
2015-07-01
The energy of a free gas of neutrons and protons is well known to be approximately isospin parabolic with a negligibly small quartic term of only 0.45 MeV at the saturation density of nuclear matter ρ0=0.16 fm-3 . Using an isospin-dependent single-nucleon momentum distribution including a high (low) momentum tail (depletion) with its shape parameters constrained by recent high-energy electron scattering and medium-energy nuclear photodisintegration experiments as well as the state-of-the-art calculations of the deuteron wave function and the equation of state of pure neutron matter near the unitary limit within several modern microscopic many-body theories, we show for the first time that the kinetic energy of interacting nucleons in neutron-rich nucleonic matter has a significant quartic term of 7.18 ±2.52 MeV. Such a large quartic term has broad ramifications in determining the equation of state of neutron-rich nucleonic matter using observables of nuclear reactions and neutron stars.
Cation-induced kinetic heterogeneity of the intron–exon recognition in single group II introns
Kowerko, Danny; König, Sebastian L. B.; Skilandat, Miriam; Kruschel, Daniela; Hadzic, Mélodie C. A. S.; Cardo, Lucia; Sigel, Roland K. O.
2015-01-01
RNA is commonly believed to undergo a number of sequential folding steps before reaching its functional fold, i.e., the global minimum in the free energy landscape. However, there is accumulating evidence that several functional conformations are often in coexistence, corresponding to multiple (local) minima in the folding landscape. Here we use the 5′-exon–intron recognition duplex of a self-splicing ribozyme as a model system to study the influence of Mg2+ and Ca2+ on RNA tertiary structure formation. Bulk and single-molecule spectroscopy reveal that near-physiological M2+ concentrations strongly promote interstrand association. Moreover, the presence of M2+ leads to pronounced kinetic heterogeneity, suggesting the coexistence of multiple docked and undocked RNA conformations. Heterogeneity is found to decrease at saturating M2+ concentrations. Using NMR, we locate specific Mg2+ binding pockets and quantify their affinity toward Mg2+. Mg2+ pulse experiments show that M2+ exchange occurs on the timescale of seconds. This unprecedented combination of NMR and single-molecule Förster resonance energy transfer demonstrates for the first time to our knowledge that a rugged free energy landscape coincides with incomplete occupation of specific M2+ binding sites at near-physiological M2+ concentrations. Unconventional kinetics in nucleic acid folding frequently encountered in single-molecule experiments are therefore likely to originate from a spectrum of conformations that differ in the occupation of M2+ binding sites. PMID:25737541
Cation-induced kinetic heterogeneity of the intron-exon recognition in single group II introns.
Kowerko, Danny; König, Sebastian L B; Skilandat, Miriam; Kruschel, Daniela; Hadzic, Mélodie C A S; Cardo, Lucia; Sigel, Roland K O
2015-03-17
RNA is commonly believed to undergo a number of sequential folding steps before reaching its functional fold, i.e., the global minimum in the free energy landscape. However, there is accumulating evidence that several functional conformations are often in coexistence, corresponding to multiple (local) minima in the folding landscape. Here we use the 5'-exon-intron recognition duplex of a self-splicing ribozyme as a model system to study the influence of Mg(2+) and Ca(2+) on RNA tertiary structure formation. Bulk and single-molecule spectroscopy reveal that near-physiological M(2+) concentrations strongly promote interstrand association. Moreover, the presence of M(2+) leads to pronounced kinetic heterogeneity, suggesting the coexistence of multiple docked and undocked RNA conformations. Heterogeneity is found to decrease at saturating M(2+) concentrations. Using NMR, we locate specific Mg(2+) binding pockets and quantify their affinity toward Mg(2+). Mg(2+) pulse experiments show that M(2+) exchange occurs on the timescale of seconds. This unprecedented combination of NMR and single-molecule Förster resonance energy transfer demonstrates for the first time to our knowledge that a rugged free energy landscape coincides with incomplete occupation of specific M(2+) binding sites at near-physiological M(2+) concentrations. Unconventional kinetics in nucleic acid folding frequently encountered in single-molecule experiments are therefore likely to originate from a spectrum of conformations that differ in the occupation of M(2+) binding sites.
Schmidt, Michael W.; Ivanic, Joseph; Ruedenberg, Klaus
2014-01-01
An analysis based on the variation principle shows that in the molecules H2+, H2, B2, C2, N2, O2, F2, covalent bonding is driven by the attenuation of the kinetic energy that results from the delocalization of the electronic wave function. For molecular geometries around the equilibrium distance, two features of the wave function contribute to this delocalization: (i) Superposition of atomic orbitals extends the electronic wave function from one atom to two or more atoms; (ii) intra-atomic contraction of the atomic orbitals further increases the inter-atomic delocalization. The inter-atomic kinetic energy lowering that (perhaps counter-intuitively) is a consequence of the intra-atomic contractions drives these contractions (which per se would increase the energy). Since the contractions necessarily encompass both, the intra-atomic kinetic and potential energy changes (which add to a positive total), the fact that the intra-atomic potential energy change renders the total potential binding energy negative does not alter the fact that it is the kinetic delocalization energy that drives the bond formation. PMID:24880263
Schmidt, Michael W; Ivanic, Joseph; Ruedenberg, Klaus
2014-05-28
An analysis based on the variation principle shows that in the molecules H2 (+), H2, B2, C2, N2, O2, F2, covalent bonding is driven by the attenuation of the kinetic energy that results from the delocalization of the electronic wave function. For molecular geometries around the equilibrium distance, two features of the wave function contribute to this delocalization: (i) Superposition of atomic orbitals extends the electronic wave function from one atom to two or more atoms; (ii) intra-atomic contraction of the atomic orbitals further increases the inter-atomic delocalization. The inter-atomic kinetic energy lowering that (perhaps counter-intuitively) is a consequence of the intra-atomic contractions drives these contractions (which per se would increase the energy). Since the contractions necessarily encompass both, the intra-atomic kinetic and potential energy changes (which add to a positive total), the fact that the intra-atomic potential energy change renders the total potential binding energy negative does not alter the fact that it is the kinetic delocalization energy that drives the bond formation.
Schmidt, Michael W; Ivanic, Joseph; Ruedenberg, Klaus
2014-05-28
An analysis based on the variation principle shows that in the molecules H2 +, H2, B2, C2, N2, O2, F2, covalent bonding is driven by the attenuation of the kinetic energy that results from the delocalization of the electronic wave function. For molecular geometries around the equilibrium distance, two features of the wave function contribute to this delocalization: (i) Superposition of atomic orbitals extends the electronic wave function from one atom to two or more atoms; (ii) intra-atomic contraction of the atomic orbitals further increases the inter-atomic delocalization. The inter-atomic kinetic energy lowering that (perhaps counter-intuitively) is a consequence of the intra-atomic contractions drives these contractions (which per se would increase the energy). Since the contractions necessarily encompass both, the intra-atomic kinetic and potential energy changes (which add to a positive total), the fact that the intra-atomic potential energy change renders the total potential binding energy negative does not alter the fact that it is the kinetic delocalization energy that drives the bond formation.
Schmidt, Michael W.; Ruedenberg, Klaus; Ivanic, Joseph
2014-05-28
An analysis based on the variation principle shows that in the molecules H{sub 2}{sup +}, H{sub 2}, B{sub 2}, C{sub 2}, N{sub 2}, O{sub 2}, F{sub 2}, covalent bonding is driven by the attenuation of the kinetic energy that results from the delocalization of the electronic wave function. For molecular geometries around the equilibrium distance, two features of the wave function contribute to this delocalization: (i) Superposition of atomic orbitals extends the electronic wave function from one atom to two or more atoms; (ii) intra-atomic contraction of the atomic orbitals further increases the inter-atomic delocalization. The inter-atomic kinetic energy lowering that (perhaps counter-intuitively) is a consequence of the intra-atomic contractions drives these contractions (which per se would increase the energy). Since the contractions necessarily encompass both, the intra-atomic kinetic and potential energy changes (which add to a positive total), the fact that the intra-atomic potential energy change renders the total potential binding energy negative does not alter the fact that it is the kinetic delocalization energy that drives the bond formation.
NASA Astrophysics Data System (ADS)
Cremaschini, Claudio; Stuchlík, Zdeněk
A new intrinsically-relativistic kinetic mechanism for generation of nonisotropic relativistic kinetic equilibria in collisionless N-body systems is pointed out. The theory is developed in the framework of the covariant Vlasov statistical description. The new effect is based on the constraints placed by the conservation laws of neutral single-particle dynamics in prescribed background curved-spacetimes demonstrating existence of Killing tensors. As an illustration, the particular case of the Kerr spacetime admitting the so-called Carter constant for the particle geodesic motion is considered. The general functional form of the equilibrium kinetic distribution function (KDF) is determined and an explicit realization in terms of Gaussian-like distributions is provided. It is shown that, due to the Carter constant, these equilibrium KDFs exhibit an anisotropic phase-space functional dependence in terms of the single-particle 4-velocity components, giving rise to corresponding nonisotropic continuum fluid fields. The qualitative properties of the equilibrium stress-energy tensor associated with these systems are discussed, with a particular emphasis on the related occurrence of temperature anisotropy effects. The theory is susceptible of astrophysical applications, including in particular the statistical properties of dark matter (DM) halos around stellar-mass or galactic-center black holes.
Estimation of Rainfall Kinetic Energy by Rain Intensity and/or Radar Reflectivity Factor
NASA Astrophysics Data System (ADS)
Yu, N.; Delrieu, G.; Boudevillain, B.; Hazenberg, P.; Uijlenhoet, R.
2011-12-01
This study presents an approach to estimate the rainfall kinetic energy (KE) by rain intensity (R) and radar reflectivity factor (Z) separately, or jointly, on the basis of a one- or two-moment scaled formulation. This formulation considers the raindrop size distribution (DSD) as a combination of bulk rainfall variable(s) (R or/and Z) and an intrinsic distribution g(x), which is in function of the scaled raindrop diameter x. Results from previous studies showed that g(x) remains more or less constant, hence the variability of DSD is mainly explained by the bulk rainfall variable(s). In this study, the Gamma probability density function (pdf) with two parameters is used to model the g(x). Considered the self-consistent relationships between parameters, a robust method is proposed to estimate three climatological g(x), in R-, Z- and RZ-scaled formulation respectively, with a 28-month DSD dataset collected in the Cevennes-Vivarais region, France. Three relationships (KE-R, KE-Z and KE-(R,Z)), which link the observations (R and/or Z) to rainfall kinetic energy (KE), are established based on three climatological g(x). As expected, the combination of R and Z yields a significant improvement of the estimation of KE compared to the single-moment formulations. And Z yields a better performance in KE estimating compared to the KE-R relationship. In terms of the application of these relationships based on real radar reflectivity factors and/or rain gauge measurements, the combination of R and Z yields also the best performance in estimation of KE among the three relationships. Different from the application of the disdrometer data, the performance of the real KE-Z relationship degrades compared to the real KE-R relationship, which is probably due to the sampling error of radar. However, KE estimated by radar possess the advantages in spatialization of kinetic energy over that based on rain gauge stations. This study was supported financially by the HYDRATE project of the
Hybrid Kinetic-Fluid Electromagnetic Simulations of Imploding High Energy Density Plasmas for IFE
NASA Astrophysics Data System (ADS)
Welch, Dale; Rose, Dave; Thoma, Carsten; Genoni, Thomas; Bruner, Nichelle; Clark, Robert; Stygar, William; Leeper, Ramon
2011-10-01
A new simulation technique is being developed to study high current and moderate density-radius product (ρR) z-pinch plasmas relevant to Inertial Fusion Energy (IFE). Fully kinetic, collisional, and electromagnetic simulations of the time evolution of up to 40-MA current (deuterium and DT) z-pinches, but with relatively low ρR, have yielded new insights into the mechanisms of neutron production. At fusion relevant conditions (ρR > 0.01 gm/cm2) , however, this technique requires a prohibitively large number of cells and particles. A new hybrid implicit technique has been developed that accurately describes high-density and magnetized imploding plasmas. The technique adapts a recently published algorithm, that enables accurate descriptions of highly magnetized particle orbits, to high density plasmas and also makes use of an improved kinetic particle remap technique. We will discuss the new technique, stable range of operation, and application to an IFE relevant z-pinch design at 60 MA. Work supported by Sandia National Laboratories.
A subsynoptic-scale kinetic energy study of the Red River Valley tornado outbreak (AVE-SESAME 1)
NASA Technical Reports Server (NTRS)
Jedlovec, G. J.; Fuelberg, H. E.
1981-01-01
The subsynoptis-scale kinetic energy balance during the Red River Valley tornado outbreak is presented in order to diagnose storm environment interactions. Area-time averaged energetics indicate that horizontal flux convergence provides the major energy source to the region, while cross contour flow provides the greatest sink. Maximum energy variability is found in the upper levels in association with jet stream activity. Area averaged energetics at individual observation times show that the energy balance near times of maximum storm activity differs considerably from that of the remaining periods. The local kinetic energy balance over Oklahoma during the formation of a limited jet streak receives special attention. Cross contour production of energy is the dominant local source for jet development. Intense convection producing the Red River Valley tornadoes may have contributed to this local development by modifying the surrounding environment.
Inversion vibration of PH3+(X~ 2A2'') studied by zero kinetic energy photoelectron spectroscopy
NASA Astrophysics Data System (ADS)
Yang, Jie; Li, Juan; Hao, Yusong; Zhou, Chang; Mo, Yuxiang
2006-08-01
We report the first rotationally resolved spectroscopic studies on PH3+(X˜A2″2) using zero kinetic energy photoelectron spectroscopy and coherent VUV radiation. The spectra about 8000cm-1 above the ground vibrational state of PH3+(X˜A2″2) have been recorded. We observed the vibrational energy level splittings of PH3+(X˜A2″2) due to the tunneling effect in the inversion (symmetric bending) vibration (ν2+). The energy splitting for the first inversion vibrational state (0+/0-) is 5.8cm-1. The inversion vibrational energy levels, rotational constants, and adiabatic ionization energies (IEs) for ν2+=0-16 have been determined. The bond angles between the neighboring P-H bonds and the P-H bond lengths are also obtained using the experimentally determined rotational constants. With the increasing of the inversion vibrational excitations (ν2+), the bond lengths (P-H) increase a little and the bond angles (H-P-H) decrease a lot. The inversion vibrational energy levels have also been calculated by using one dimensional potential model and the results are in good agreement with the experimental data for the first several vibrational levels. In addition to inversion vibration, we also observed firstly the other two vibrational modes: the symmetric P-H stretching vibration (ν1+) and the degenerate bending vibration (ν4+). The fundamental frequencies for ν1+ and ν4+ are 2461.6 (±2) and 1043.9 (±2)cm-1, respectively. The first IE for PH3 was determined as 79670.9 (±1)cm-1.
Kinetics of microstructure formation of high-pressure induced gel from a whey protein isolate
NASA Astrophysics Data System (ADS)
He, Jin-Song; Yang, Hongwei; Zhu, Wanpeng; Mu, Tai-Hua
2010-03-01
The kinetic process of pressure-induced gelation of whey protein isolate (WPI) solutions was studied using in situ light scattering. The relationship of the logarithm of scattered light intensity (I) versus time (t) was linear after the induced time and could be described by the Cahn-Hilliard linear theory. With increasing time, the scattered intensity deviated from the exponential relationship, and the time evolution of the scattered light intensity maximum Im and the corresponding wavenumber qm could be described in terms of the power-law relationship as Im~fβ and qm~f-α, respectively. These results indicated that phase separation occurred during the gelation of WPI solutions under high pressure.
Rheo-kinetic analysis of shear induced crystallization of semicrystalline polymer
Kim, Jung Gon; Kim, Hyun Seog; Lee, Jae Wook
1996-12-31
Since the kinetic of crystallization of semicrystalline polymers is mainly influenced by material parameters and processing conditions, the micro-structure and properties of the final product can be changed remarkably. To obtain the excellent properties of the final product, not only the effect of thermal history on the crystallization behavior but also the effect of shear history must be defined. It has been known that flow stresses have accelerating on the crystallization behavior of semicrystalline polymers. Several experiments have been described in the literature where attempts were made to quantify the shear stress induced crystallization in molten semicrystalline polymers such as polypropylene. In this study, the shear induced crystallization behavior of polybuthylene terephthalate (PBT) was investigated by measuring the change of shear stress with rheometer for different conditions of temperature below the melting point, shearing time and shear rate.
NASA Astrophysics Data System (ADS)
Appannababu, S.; Cinausero, M.; Marchi, T.; Gramegna, F.; Prete, G.; Bermudez, J.; Fabris, D.; Collazuol, G.; Saxena, A.; Nayak, B. K.; Kailas, S.; Bruno, M.; Morelli, L.; Gelli, N.; Piantelli, S.; Pasquali, G.; Barlini, S.; Valdré, S.; Vardaci, E.; Sajo-Bohus, L.; Degerlier, M.; Jhingan, A.; Behera, B. R.; Kravchuk, V. L.
2016-10-01
The correlations between mass distributions of the binary fragments, total kinetic energy (TKE), and neutron multiplicity have been investigated for the reaction +208Pb 50Ti at 294 MeV bombarding energy. Although this reaction has been used to synthesize the Rf (Z =104 ) superheavy element, a complete study of its fragmentation dynamics is still not available in the literature. In this work, average neutron multiplicities were extracted as a function of different fragment mass splits and TKE windows. A weak increase of the prescission neutron multiplicity is observed going from asymmetric to symmetric mass splits. A fission delay time of 4.5 ×10-20 s has been extracted for the symmetric fission. The neutron multiplicity extracted for the symmetric mass split was used to derive the average number of neutrons emitted in the spontaneous fission of 258Rf. The extrapolated value of 4.7 ±1.4 is found to be consistent with systematics of spontaneous and neutron-induced fission in heavy nuclei and with the results of previous works for superheavy nuclei with Z =116 and Z =124 .
NASA Astrophysics Data System (ADS)
N'tsouaglo, Kokou; Joly, Jean-Francois; Beland, Laurent; Brommer, Peter; Mousseau, Normand
2013-03-01
In the last two decades, there has been a considerable interest in the development of accelerated numerical methods for sampling the energy landscape of complex materials. Many of these methods are based on the kinetic Monte Carlo (KMC) algorithm introduced 40 years ago. This is the case of kinetic ART, for example, which uses a very efficient transition-state searching method, ART nouveau, coupled with a topological tool, NAUTY, to offer an off-lattice KMC method with on-the-fly catalog building to study complex systems, such as ion-bombarded and amorphous materials, on timescales of a second or more. Looking at two systems, vacancy aggregation in Fe and energy relaxation in ion-bombarded c-Si, we characterize the changes in the energy landscape and the relation to its time evolution with kinetic ART and its correspondence with the well-known Bell-Evans-Polanyi principle used in chemistry.
Ohkubo, T. Ishii, Y.
2015-03-15
A compact focused gaseous ion beam system has been developed to form proton microbeams of a few hundreds of keV with a penetration depth of micrometer range in 3-dimensional proton beam writing. Proton microbeams with kinetic energies of 100-140 keV were experimentally formed on the same point at a constant ratio of the kinetic energy of the object side to that of the image side. The experimental results indicate that the beam diameters were measured to be almost constant at approximately 6 μm at the same point with the kinetic energy range. These characteristics of the system were experimentally and numerically demonstrated to be maintained as long as the ratio was constant.
NASA Technical Reports Server (NTRS)
Chen, T.-C.; Alpert, J. C.; Schlatter, T. W.
1978-01-01
The magnitude of the divergent component of the wind is relatively small compared to that of the nondivergent component in large-scale atmospheric flows; nevertheless, it plays an important role in the case of explosive cyclogenesis examined here. The kinetic energy budget for the life cycle of an intense, developing cyclone over North America is calculated. The principal kinetic energy source is the net horizontal transport across the boundaries of the region enclosing the cyclone. By investigating the relative importance of the divergent and nondivergent wind components in the kinetic energy budget, it was found, as expected, that neglecting the divergent wind component in calculating the magnitude of the kinetic energy is of little consequence, but that the horizontal flux convergence and generation of kinetic energy depend crucially upon the divergent component. Modification of the divergent wind component can result in significant changes in the kinetic energy budget of the synoptic system.
Effects of renal impairment on aluminum (Al) kinetics and Al-induced toxicity
Yokel, R.A.; McNamara, P.J.
1986-03-01
Al-induced toxicity most commonly occurs in the renally impaired. To study the influence of renal impairment on Al kinetics and toxicity, renally impaired rabbits were prepared by the remnant kidney procedure. Six weeks after partial nephrectomy creatinine clearance was 21% of controls and serum creatinine, BUN, Ca, and PO/sub 4/ were 222, 248, 122, and 50% of presurgery levels respectively. Serum Al kinetics after i.v. Al were: Al clearance 27%, initial and steady state volumes of distribution 50 and 80%, half life 362% and mean residence time 300% of controls (renally intact rabbits). Beginning 9 weeks after partial nephrectomy, rabbits received 145 to 160 ..mu..mole Al/kg s.c. daily, 5 x weekly x 4 weeks. Acquisition of a classically conditioned reflex (nictitating membrane extension) was impaired comparable to that produced by 100-200 ..mu..mole Al in controls but retention and extinction deficits were greater than those seen after 400 ..mu..mole Al in controls. Tissue Al concentrations were less than those seen after 200 ..mu..mole Al in controls. Body weight was comparable to that produced by 400 ..mu..mole Al in controls. These results suggest that renal impairment alters Al serum distribution, impairs its clearance, and increases the Al-induced impairment of memory and body weight gain.
Spatiotemporal kinetics of γ-H2AX protein on charged particles induced DNA damage
NASA Astrophysics Data System (ADS)
Niu, H.; Chang, H. C.; Cho, I. C.; Chen, C. H.; Liu, C. S.; Chou, W. T.
2014-08-01
In several researches, it has been demonstrated that charged particles can induce more complex DNA damages. These complex damages have higher ability to cause the cell death or cell carcinogenesis. For this reason, clarifying the DNA repair mechanism after charged particle irradiation plays an important role in the development of charged particle therapy and space exploration. Unfortunately, the detail spatiotemporal kinetic of DNA damage repair is still unclear. In this study, we used γ-H2AX protein to investigate the spatiotemporal kinetics of DNA double strand breaks in alpha-particle irradiated HeLa cells. The result shows that the intensity of γ-H2AX foci increased gradually, and reached to its maximum at 30 min after irradiation. A good linear relationship can be observed between foci intensity and radiation dose. After 30 min, the γ-H2AX foci intensity was decreased with time passed, but remained a large portion (∼50%) at 48 h passed. The data show that the dissolution rate of γ-H2AX foci agreed with two components DNA repairing model. These results suggest that charged particles can induce more complex DNA damages and causing the retardation of DNA repair.
DNA-Binding Kinetics Determines the Mechanism of Noise-Induced Switching in Gene Networks.
Tse, Margaret J; Chu, Brian K; Roy, Mahua; Read, Elizabeth L
2015-10-20
Gene regulatory networks are multistable dynamical systems in which attractor states represent cell phenotypes. Spontaneous, noise-induced transitions between these states are thought to underlie critical cellular processes, including cell developmental fate decisions, phenotypic plasticity in fluctuating environments, and carcinogenesis. As such, there is increasing interest in the development of theoretical and computational approaches that can shed light on the dynamics of these stochastic state transitions in multistable gene networks. We applied a numerical rare-event sampling algorithm to study transition paths of spontaneous noise-induced switching for a ubiquitous gene regulatory network motif, the bistable toggle switch, in which two mutually repressive genes compete for dominant expression. We find that the method can efficiently uncover detailed switching mechanisms that involve fluctuations both in occupancies of DNA regulatory sites and copy numbers of protein products. In addition, we show that the rate parameters governing binding and unbinding of regulatory proteins to DNA strongly influence the switching mechanism. In a regime of slow DNA-binding/unbinding kinetics, spontaneous switching occurs relatively frequently and is driven primarily by fluctuations in DNA-site occupancies. In contrast, in a regime of fast DNA-binding/unbinding kinetics, switching occurs rarely and is driven by fluctuations in levels of expressed protein. Our results demonstrate how spontaneous cell phenotype transitions involve collective behavior of both regulatory proteins and DNA. Computational approaches capable of simulating dynamics over many system variables are thus well suited to exploring dynamic mechanisms in gene networks.
NASA Astrophysics Data System (ADS)
Schunck, N.; Duke, D.; Carr, H.
2015-03-01
Understanding the mechanisms of induced nuclear fission for a broad range of neutron energies could help resolve fundamental science issues, such as the formation of elements in the universe, but could have also a large impact on societal applications in energy production or nuclear waste management. The goal of this paper is to set up the foundations of a microscopic theory to study the static aspects of induced fission as a function of the excitation energy of the incident neutron, from thermal to fast neutrons. To account for the high excitation energy of the compound nucleus, we employ a statistical approach based on finite temperature nuclear density functional theory with Skyrme energy densities, which we benchmark on the 239Pu(n ,f ) reaction. We compute the evolution of the least-energy fission pathway across multidimensional potential energy surfaces with up to five collective variables as a function of the nuclear temperature and predict the evolution of both the inner and the outer fission barriers as a function of the excitation energy of the compound nucleus. We show that the coupling to the continuum induced by the finite temperature is negligible in the range of neutron energies relevant for many applications of neutron-induced fission. We prove that the concept of quantum localization introduced recently can be extended to T >0 , and we apply the method to study the interaction energy and total kinetic energy of fission fragments as a function of the temperature for the most probable fission. While large uncertainties in theoretical modeling remain, we conclude that a finite temperature nuclear density functional may provide a useful framework to obtain accurate predictions of fission fragment properties.
Seasonal variability of eddy kinetic energy in a global high-resolution ocean model
NASA Astrophysics Data System (ADS)
Rieck, Jan K.; Böning, Claus W.; Greatbatch, Richard J.; Scheinert, Markus
2015-11-01
A global ocean model with 1/12° horizontal resolution is used to assess the seasonal cycle of surface eddy kinetic energy (EKE). The model reproduces the salient features of the observed mean surface EKE, including amplitude and phase of its seasonal cycle in most parts of the ocean. In all subtropical gyres of the Pacific and Atlantic, EKE peaks in summer down to a depth of ˜350 m, below which the seasonal cycle is weak. Investigation of the possible driving mechanisms reveals the seasonal changes in the thermal interactions with the atmosphere to be the most likely cause of the summer maximum of EKE. The development of the seasonal thermocline in spring and summer is accompanied by stronger mesoscale variations in the horizontal temperature gradients near the surface which corresponds, by thermal wind balance, to an intensification of mesoscale velocity anomalies toward the surface.
Energy resolution and efficiency of phonon-mediated kinetic inductance detectors for light detection
NASA Astrophysics Data System (ADS)
Cardani, L.; Colantoni, I.; Cruciani, A.; Di Domizio, S.; Vignati, M.; Bellini, F.; Casali, N.; Castellano, M. G.; Coppolecchia, A.; Cosmelli, C.; Tomei, C.
2015-08-01
The development of sensitive cryogenic light detectors is of primary interest for bolometric experiments searching for rare events like dark matter interactions or neutrino-less double beta decay. Thanks to their good energy resolution and the natural multiplexed read-out, Kinetic Inductance Detectors (KIDs) are particularly suitable for this purpose. To efficiently couple KIDs-based light detectors to the large crystals used by the most advanced bolometric detectors, active surfaces of several cm2 are needed. For this reason, we are developing phonon-mediated detectors. In this paper, we present the results obtained with a prototype consisting of four 40 nm thick aluminum resonators patterned on a 2 × 2 cm2 silicon chip, and calibrated with optical pulses and X-rays. The detector features a noise resolution σE = 154 ± 7 eV and an (18 ± 2)% efficiency.
Aspects of the Eckart frame ro-vibrational kinetic energy operator
NASA Astrophysics Data System (ADS)
Szalay, Viktor
2015-08-01
A most decisive part of developing the Eckart frame ro-vibrational kinetic energy operator (KEO) in terms of curvilinear internal coordinates is the introduction of vibrational displacements obeying the Eckart conditions. It is examined here, how such displacements may be constructed by orthogonal and nonorthogonal transformations, and how they can be employed in developing the KEO. In particular, it is shown analytically, by term by term comparison, that the Eckart KEOs obtained by employing Pickett's method and the gateway Hamiltonian method are equivalent. That is, although it may appear in the form of very different expressions, the general, exact ro-vibrational Eckart frame KEO is unique. As side result, it has been shown that the simple formula of the pseudo-potential derived by Watson for the exact KEO given in normal coordinates applies to any Eckart frame KEO, irrespective of the choice of the vibrational coordinates.
NASA Astrophysics Data System (ADS)
Sampath, S.; Ganesan, V.
1986-04-01
A method is offered for measuring turbulence levels in three directions in gas turbine combustion systems and high intensity industrial furnaces, using a hot wire anemometer. A detailed analysis of the turbulence in the flow is necessary to achieve optimum combustion conditions, and until now there has been no established method available for measuring turbulence in swirling and recirculating flows. The merit of the new method is the use of a single-wire probe rather than the X-probe. The method has been used to measure turbulence levels in swirling recirculating flows generated by vane swirlers. From the measured turbulence levels, the kinetic energy of turbulence has been calculated and the results are compared with a well-established numerical prediction method. Mean velocity measurements have also been made using a 3-hole Pitot probe. The agreement between the measured and predicted values is quite satisfactory.
NASA Astrophysics Data System (ADS)
Thallmair, Sebastian; Roos, Matthias K.; de Vivie-Riedle, Regina
2016-06-01
Quantum dynamics simulations require prior knowledge of the potential energy surface as well as the kinetic energy operator. Typically, they are evaluated in a low-dimensional subspace of the full configuration space of the molecule as its dimensionality increases proportional to the number of atoms. This entails the challenge to find the most suitable subspace. We present an approach to design specially adapted reactive coordinates spanning this subspace. In addition to the essential geometric changes, these coordinates take into account the relaxation of the non-reactive coordinates without the necessity of performing geometry optimizations at each grid point. The method is demonstrated for an ultrafast photoinduced bond cleavage in a commonly used organic precursor for the generation of electrophiles. The potential energy surfaces for the reaction as well as the Wilson G-matrix as part of the kinetic energy operator are shown for a complex chemical reaction, both including the relaxation of the non-reactive coordinates on equal footing. A microscopic interpretation of the shape of the G-matrix elements allows to analyze the impact of the non-reactive coordinates on the kinetic energy operator. Additionally, we compare quantum dynamics simulations with and without the relaxation of the non-reactive coordinates included in the kinetic energy operator to demonstrate its influence.
Levy, Mel E-mail: mlevy@tulane.edu; Anderson, James S. M.; Zadeh, Farnaz Heidar; Ayers, Paul W. E-mail: mlevy@tulane.edu
2014-05-14
Properties of exact density functionals provide useful constraints for the development of new approximate functionals. This paper focuses on convex sums of ground-level densities. It is observed that the electronic kinetic energy of a convex sum of degenerate ground-level densities is equal to the convex sum of the kinetic energies of the individual degenerate densities. (The same type of relationship holds also for the electron-electron repulsion energy.) This extends a known property of the Levy-Valone Ensemble Constrained-Search and the Lieb Legendre-Transform refomulations of the Hohenberg-Kohn functional to the individual components of the functional. Moreover, we observe that the kinetic and electron-repulsion results also apply to densities with fractional electron number (even if there are no degeneracies), and we close with an analogous point-wise property involving the external potential. Examples where different degenerate states have different kinetic energy and electron-nuclear attraction energy are given; consequently, individual components of the ground state electronic energy can change abruptly when the molecular geometry changes. These discontinuities are predicted to be ubiquitous at conical intersections, complicating the development of universally applicable density-functional approximations.
Thallmair, Sebastian; Roos, Matthias K; de Vivie-Riedle, Regina
2016-06-21
Quantum dynamics simulations require prior knowledge of the potential energy surface as well as the kinetic energy operator. Typically, they are evaluated in a low-dimensional subspace of the full configuration space of the molecule as its dimensionality increases proportional to the number of atoms. This entails the challenge to find the most suitable subspace. We present an approach to design specially adapted reactive coordinates spanning this subspace. In addition to the essential geometric changes, these coordinates take into account the relaxation of the non-reactive coordinates without the necessity of performing geometry optimizations at each grid point. The method is demonstrated for an ultrafast photoinduced bond cleavage in a commonly used organic precursor for the generation of electrophiles. The potential energy surfaces for the reaction as well as the Wilson G-matrix as part of the kinetic energy operator are shown for a complex chemical reaction, both including the relaxation of the non-reactive coordinates on equal footing. A microscopic interpretation of the shape of the G-matrix elements allows to analyze the impact of the non-reactive coordinates on the kinetic energy operator. Additionally, we compare quantum dynamics simulations with and without the relaxation of the non-reactive coordinates included in the kinetic energy operator to demonstrate its influence.
Dynamic kinetic energy potential for orbital-free density functional theory.
Neuhauser, Daniel; Pistinner, Shlomo; Coomar, Arunima; Zhang, Xu; Lu, Gang
2011-04-14
A dynamic kinetic energy potential (DKEP) is developed for time-dependent orbital-free (TDOF) density function theory applications. This potential is constructed to affect only the dynamical (ω ≠ 0) response of an orbital-free electronic system. It aims at making the orbital-free simulation respond in the same way as that of a noninteracting homogenous electron gas (HEG), as required by a correct kinetic energy, therefore enabling extension of the success of orbital-free density functional theory in the static case (e.g., for embedding and description of processes in bulk materials) to dynamic processes. The potential is constructed by expansions of terms, each of which necessitates only simple time evolution (concurrent with the TDOF evolution) and a spatial convolution at each time-step. With 14 such terms a good fit is obtained to the response of the HEG at a large range of frequencies, wavevectors, and densities. The method is demonstrated for simple jellium spheres, approximating Na(9)(+) and Na(65)(+) clusters. It is applicable both to small and large (even ultralarge) excitations and the results converge (i.e., do not blow up) as a function of time. An extension to iterative frequency-resolved extraction is briefly outlined, as well as possibly numerically simpler expansions. The approach could also be extended to fit, instead of the HEG susceptibility, either an experimental susceptibility or a theoretically derived one for a non-HEG system. The DKEP potential should be a powerful tool for embedding a dynamical system described by a more accurate method (such as time-dependent density functional theory, TDDFT) in a large background described by TDOF with a DKEP potential. The type of expansions used and envisioned should be useful for other approaches, such as memory functionals in TDDFT. Finally, an appendix details the formal connection between TDOF and TDDFT.
Measurement of turbulent kinetic energy dissipation rates in the mesosphere by a 3 MHz Doppler radar
NASA Astrophysics Data System (ADS)
Singer, W.; Latteck, R.; Hocking, W. K.
A new narrow beam Doppler radar at 3.17 MHz has been installed close to the Andöya Rocket Range in Andenes, Norway in summer 2002 to improve the ground based capabilities for measurements of turbulence in the mesosphere. The main feature of the radar is the transmitting/receiving antenna (Mills Cross antenna of 29 crossed half-wave dipoles) which provides in combination with the modular transceiver system high flexibility in beam forming and pointing. In general, vertical and oblique beams with a minimum beam width of about 7 (FWHP, one way) are used; the observations are done with a height resolution of 1 km. Off-zenith beams at 7.3 are directed towards NW, NE, SE, and SW. In addition, beams with different widths at the same pointing angle can be formed for the application of dual-beam width techniques. Turbulence intensities are estimated from the width of the observed signal spectra. Exact and approximate methods of removing non-turbulent processes such as wind shear and beam width broadening are applied. The exact, but computer time consuming correction method requires the knowledge of the antenna radiation pattern and of the measured wind field. The standard approximation is based on background winds and beam width, the dual-beam width approximation needs the beam width only. Examples of the various methods are discussed. Results of measurements of turbulent kinetic energy dissipation rates obtained with the exact correction method for beam and shear broadening are presented for the period September 2003 to January 2004. In September, mean turbulent kinetic energy dissipation rates amount about 5 mW/kg at 60km and about 20 mW/kg at 80km in agreement with mean turbulence intensities obtained from rocket soundings at Andenes.
Measurement of turbulent kinetic energy dissipation rates in the mesosphere by a 3 MHz Doppler radar
NASA Astrophysics Data System (ADS)
Latteck, R.; Singer, W.; Hocking, W. K.
A new narrow beam Doppler radar operating at 3.17 MHz has been installed close to the Andøya Rocket Range in Andenes, Norway in summer 2002 in order to improve the ground based capabilities for measurements of turbulence in the mesosphere. The main feature of the radar is a Mills Cross transmitting/receiving antenna consisting of 29 crossed half-wave dipoles. In combination with the modular transceiver system this provides high flexibility in beam forming and pointing. In general, vertical and oblique beams with a minimum one way half-power full-beam width (HPFW) of 6.6° are used. The observations are usually performed with a height resolution of 1 km and with off-zenith beams at 7.3° directed towards NW, NE, SE, and SW. Turbulence intensities have been estimated from the width of the observed signal spectra using an computationally intensive correction method which requires precise knowledge of the antenna radiation pattern. The program uses real-time measurements of the wind field in all determinations. Turbulent kinetic energy dissipation rates based on radar observations are presented and compared with corresponding climatological summer and winter profiles from rocket measurements, as well as with single profiles from model runs for selected periods from September 2003 to Summer 2004. The mean turbulent kinetic energy dissipation rates based on these radar measurements are about 5 mW/kg at 60 km altitude and about 20 mW/kg at 80 km, in reasonable agreement with mean turbulence intensities obtained from previous rocket soundings at Andenes.
Vertical Kinetic Energy of Internal Gravity Waves and Turbulent Dissipation in the Ocean
NASA Astrophysics Data System (ADS)
Thurnherr, Andreas; St. Laurent, Louis; Richards, Kelvin; Toole, John
2015-04-01
Internal gravity waves in the ocean are closely associated with turbulence and mixing. The relationship between IGWs and turbulence is usually interpreted in the framework of the Garret-Munk model, a prescription for open-ocean internal-wave energy as a function of several environmental parameters. Here, we evaluate the relationship between internal-wave energy and turbulence directly, using more than 250 joint profiles of turbulent dissipation from microstructure, and vertical velocity from CTD/LADCP measurements. The observations include profiles from a wide variety of dynamical regimes and latitudes between the equator and 60°. In most profiles, finescale vertical kinetic energy (VKE) varies as kz-2, where kz is the vertical wave number. Scaling VKE with dissipation collapses all off-equatorial data-set average spectra to within √2 or better. The dissipation-normalized spectrum can be interpreted as a new single-parameter (dissipation) model for internal-wave VKE, which is considerably simpler and more accurate than the corresponding Garrett-Munk model.
Scale-dependent distribution of kinetic energy from surface drifters in the Gulf of Mexico
NASA Astrophysics Data System (ADS)
Balwada, Dhruv; LaCasce, Joseph H.; Speer, Kevin G.
2016-10-01
The scale-dependent distribution of kinetic energy is probed at the surface in the Gulf of Mexico using surface drifters from the Grand Lagrangian Deployment (GLAD) experiment. The second-order velocity structure function and its decomposition into rotational and divergent components are examined. The results reveal that the divergent component, compared to the rotational component, dominates at scales below 5 km, and the pattern is reversed at larger scales. The divergent component has a slope near 2/3 below 5 km, similar to an energy cascade range (k-5/3). The third-order velocity structure function at scales below 5 km is negative and implies a forward cascade of energy to smaller scales. The rotational component has a steeper slope, roughly 1.5, from scales of 5 km up to the deformation radius. This is similar to a 2-D enstrophy cascade, although the slope is shallower than the predicted 2. There is a brief 2/3 range from the deformation radius to 200 km, suggestive of a 2-D inverse cascade.
Kinetic theory of binary particles with unequal mean velocities and non-equipartition energies
NASA Astrophysics Data System (ADS)
Chen, Yanpei; Mei, Yifeng; Wang, Wei
2017-03-01
The hydrodynamic conservation equations and constitutive relations for a binary granular mixture composed of smooth, nearly elastic spheres with non-equipartition energies and different mean velocities are derived. This research is aimed to build three-dimensional kinetic theory to characterize the behaviors of two species of particles suffering different forces. The standard Enskog method is employed assuming a Maxwell velocity distribution for each species of particles. The collision components of the stress tensor and the other parameters are calculated from the zeroth- and first-order approximation. Our results demonstrate that three factors, namely the differences between two granular masses, temperatures and mean velocities all play important roles in the stress-strain relation of the binary mixture, indicating that the assumption of energy equipartition and the same mean velocity may not be acceptable. The collision frequency and the solid viscosity increase monotonously with each granular temperature. The zeroth-order approximation to the energy dissipation varies greatly with the mean velocities of both species of spheres, reaching its peak value at the maximum of their relative velocity.
Correcting the Wingate test for changes in kinetic energy of the ergometer flywheel.
Bassett, D R
1989-12-01
The rotating flywheel of a cycle ergometer possesses kinetic energy (KE) by virtue of its rotation about the center of mass. The energy released as the flywheel velocity (FV) decreases during the course of a Wingate test is used to accomplish mechanical work. The subject should not be "credited" with this work since the energy storage occurred prior to the start of the 30-s test. The total KE (KE-total) in the flywheel of a Monark ergometer was determined using the formula KEtotal = 1/2 I omega 2. The KE available to do work (KEwork) was measured by loading the ergometer with 1 Kp (9.8 N), spinning it at predetermined rates, and observing the number of revolutions completed as it coasted to a stop. The difference between KEtotal and KE-work was attributable to friction. The mechanical power supplied by the flywheel in any 5-s period of the Wingate test was found to be: Flywheel power (W) = .00185 (FVstart2-FVend2)/5s where FV is expressed in rpm. This indicates that Wingate test scores should be corrected by subtracting the flywheel power output from the total power output. The correction lowers peak power (PP), mean power (MP), and fatigue index (% fatigue) by 6.2%, 3.0%, and 6.6% in active male subjects (P less than 0.05).
The energy landscape, folding pathways and the kinetics of a knotted protein.
Prentiss, Michael C; Wales, David J; Wolynes, Peter G
2010-07-01
The folding pathway and rate coefficients of the folding of a knotted protein are calculated for a potential energy function with minimal energetic frustration. A kinetic transition network is constructed using the discrete path sampling approach, and the resulting potential energy surface is visualized by constructing disconnectivity graphs. Owing to topological constraints, the low-lying portion of the landscape consists of three distinct regions, corresponding to the native knotted state and to configurations where either the N or C terminus is not yet folded into the knot. The fastest folding pathways from denatured states exhibit early formation of the N terminus portion of the knot and a rate-determining step where the C terminus is incorporated. The low-lying minima with the N terminus knotted and the C terminus free therefore constitute an off-pathway intermediate for this model. The insertion of both the N and C termini into the knot occurs late in the folding process, creating large energy barriers that are the rate limiting steps in the folding process. When compared to other protein folding proteins of a similar length, this system folds over six orders of magnitude more slowly.
Hamm, Laura M.; Han, Nizhou; De Yoreo, James J.; Dove, Patricia M.
2013-01-01
Calcified skeletons are produced within complex assemblages of proteins and polysaccharides whose roles in mineralization are not well understood. Here we quantify the kinetics of calcite nucleation onto a suite of high-purity polysaccharide (PS) substrates under controlled conditions. The energy barriers to nucleation are PS-specific by a systematic relationship to PS charge density and substrate structure that is rooted in minimization of the competing substrate–crystal and substrate–liquid interfacial energies. Chitosan presents a low-energy barrier to nucleation because its near-neutral charge favors formation of a substrate–crystal interface, thus reducing substrate interactions with water. Progressively higher barriers are measured for negatively charged alginates and heparin that favor contact with the solution over the formation of new substrate–crystal interfaces. The findings support a directing role for PS in biomineral formation and demonstrate that substrate–crystal interactions are one end-member in a larger continuum of competing forces that regulate heterogeneous crystal nucleation. PMID:23690577
The kinetic and available potential energy budget of a winter extratropical cyclone system
NASA Technical Reports Server (NTRS)
Smith, P. J.; Dare, P. M.
1986-01-01
The energy budget of an extratropical cyclone system which traversed North America and intensified through the period January 9-11, 1975 is presented. The objectives of the study are: (1) to document the complete energy budget of a significant winter cyclone event, and (2) to comment on the significance of latent heat release (LHR) in the cyclone's evolution. Results reveal an overall increase in both kinetic (K) and available potential energy (A). K increases are accounted for by boundary flux convergence of K, while A increases are due to generation by LHR and K to A conversion. In addition, the general A increase is accompanied by a 24 h oscillation that is explained largely by the flux quantity in the A budget equation and is correlated with a similar fluctuation in the K to A conversion. LHR does not appear to be critical in the development of this cyclone system. Rather, LHR acts to increase the intensity of the event. It is hypothesized that the direct influence that LHR had on the deepening cyclone's reduced mass was augmented by an indirect influence, in which pre-existing dry dynamical forcing was enhanced by diabatic heating, thus leading to accelerated cyclone development at a later time.
Zhang Shichang
2010-05-15
Nonlinear model and simulation technique of the interaction and energy transfer between a fast wave and a large-orbit relativistic electron beam in a coaxial electrostatic wiggler are presented. Unlike the situations in a magnetostatic-wiggler free-electron laser (MWFEL) and in an electron cyclotron maser (ECM), the electrostatic potential of the electrons plays an important role and participates in the energy exchange between the wave and the electron beam. Compared to MWFEL and ECM, the coaxial electrostatic-wiggler configuration has a distinguishing peculiarity that besides the electron-beam's kinetic energy, its electrostatic potential energy can be effectively transferred to the fast wave. Simulation shows that wave could be amplified with ultrahigh gain by extracting both the kinetic energy and electrostatic potential energy of the electron beam.
March, N. H.
2006-04-15
Using the known perturbation series for the idempotent Dirac density matrix in powers of a given one-body potential V(r), Stoddart and March (SM) generated a corresponding series for the kinetic energy density. While the general term of the SM series is known, a summation has not been achieved to date. A contribution to solve this problem is made here by exhibiting an explicit form of the above kinetic energy density for Fermions filling an arbitrary number of closed shells, when the confinement is harmonic. This example is of considerable current interest because of ongoing experiments on ultracold atomic gases of Fermions.
Yeow, C H; Lee, P V S; Goh, J C H
2009-08-25
Lack of the necessary magnitude of energy dissipation by lower extremity joint muscles may be implicated in elevated impact stresses present during landing from greater heights. These increased stresses are experienced by supporting tissues like cartilage, ligaments and bones, thus aggravating injury risk. This study sought to investigate frontal plane kinematics, kinetics and energetics of lower extremity joints during landing from different heights. Eighteen male recreational athletes were instructed to perform drop-landing tasks from 0.3- to 0.6-m heights. Force plates and motion-capture system were used to capture ground reaction force and kinematics data, respectively. Joint moment was calculated using inverse dynamics. Joint power was computed as a product of joint moment and angular velocity. Work was defined as joint power integrated over time. Hip and knee joints delivered significantly greater joint power and eccentric work (p<0.05) than the ankle joint at both landing heights. Substantial increase (p<0.05) in eccentric work was noted at the hip joint in response to increasing landing height. Knee and hip joints acted as key contributors to total energy dissipation in the frontal plane with increase in peak ground reaction force (GRF). The hip joint was the top contributor to energy absorption, which indicated a hip-dominant strategy in the frontal plane in response to peak GRF during landing. Future studies should investigate joint motions that can maximize energy dissipation or reduce the need for energy dissipation in the frontal plane at the various joints, and to evaluate their effects on the attenuation of lower extremity injury risk during landing.
AGN JET KINETIC POWER AND THE ENERGY BUDGET OF RADIO GALAXY LOBES
Godfrey, L. E. H.; Shabala, S. S.
2013-04-10
Recent results based on the analysis of radio galaxies and their hot X-ray emitting atmospheres suggest that non-radiating particles dominate the energy budget in the lobes of FR I radio galaxies, in some cases by a factor of more than 1000, while radiating particles dominate the energy budget in FR II radio galaxy lobes. This implies a significant difference in the radiative efficiency of the two morphological classes. To test this hypothesis, we have measured the kinetic energy flux for a sample of 3C FR II radio sources using a new method based on the observed parameters of the jet terminal hotspots, and compared the resulting Q{sub jet}-L{sub radio} relation to that obtained for FR I radio galaxies based on X-ray cavity measurements. Contrary to expectations, we find approximate agreement between the Q{sub jet}-L{sub radio} relations determined separately for FR I and FR II radio galaxies. This result is ostensibly difficult to reconcile with the emerging scenario in which the lobes of FR I and FR II radio galaxies have vastly different energy budgets. However, a combination of lower density environment, spectral aging and strong shocks driven by powerful FR II radio galaxies may reduce the radiative efficiency of these objects relative to FR Is and counteract, to some extent, the higher radiative efficiency expected to arise due to the lower fraction of energy in non-radiating particles. An unexpected corollary is that extrapolating the Q{sub jet}-L{sub radio} relation determined for low power FR I radio galaxies provides a reasonable approximation for high power sources, despite their apparently different lobe compositions.
NASA Astrophysics Data System (ADS)
Chen, Xiao; Qiu, Bo; Chen, Shuiming; Qi, Yiquan; Du, Yan
2015-09-01
Seasonal eddy kinetic energy (EKE) variability and its associated eddy energy conversion processes in the western tropical Pacific are investigated using satellite altimeter observations and a global, eddy-resolving, ocean general circulation model (OGCM). Both the altimeter-observed sea surface height anomalies and the OGCM simulation show an area with enhanced EKE east of the Mindanao Island centered around 133°E and 5°N. This enhanced EKE area corresponds to the location of the quasi-stationary meander of the North Equatorial Countercurrent (NECC) and is bordered to the south by the Halmahera Eddy. The mesoscale EKE in this area exhibits a clear seasonality, strong in summer (July-August) and weak in winter (November-January), and much of this seasonality is confined to the upper 200 m layer. An investigation into the upper ocean eddy energetics based on the OGCM simulation reveals that the areal barotropic eddy energy conversion rate has an annual cycle similar to the EKE variations, while the areal baroclinic eddy energy conversion is found to be much smaller that the barotropic conversion rate and exhibits no clear seasonal changes. This indicates that the EKE variations are largely controlled by barotropic conversion of the seasonally varying regional circulation. By examining the seasonal background circulation changes, we find that the amplification of the barotropic eddy energy conversion rate in July-August is related to the seasonal evolution of the Mindanao Current and the New Guinea Coastal Current that amplifies the curvature and amplitude of the quasi-stationary meander of the NECC and results in an elevated EKE level through increased regional barotropic conversion.
NASA Technical Reports Server (NTRS)
Khakoo, M. A.; Srivastava, S. K.
1985-01-01
The kinetic energy spectra of protons resulting from the dissociative ionization of H2 by electron impact have been measured for electron impact energies from threshold (approximately 17 eV) to 160 eV at 90 deg and 30 deg detection angles, using a crossed-beam experimental arrangement. To check reliability, two separate proton energy analysis methods have been employed, i.e., a time-of-flight proton energy analysis and an electrostatic hemispherical energy analyzer. The present results are compared with previous measurements.
Bazant, Zdenek P; Caner, Ferhun C
2013-11-26
Although there exists a vast literature on the dynamic comminution or fragmentation of rocks, concrete, metals, and ceramics, none of the known models suffices for macroscopic dynamic finite element analysis. This paper outlines the basic idea of the macroscopic model. Unlike static fracture, in which the driving force is the release of strain energy, here the essential idea is that the driving force of comminution under high-rate compression is the release of the local kinetic energy of shear strain rate. The density of this energy at strain rates >1,000/s is found to exceed the maximum possible strain energy density by orders of magnitude, making the strain energy irrelevant. It is shown that particle size is proportional to the -2/3 power of the shear strain rate and the 2/3 power of the interface fracture energy or interface shear stress, and that the comminution process is macroscopically equivalent to an apparent shear viscosity that is proportional (at constant interface stress) to the -1/3 power of this rate. A dimensionless indicator of the comminution intensity is formulated. The theory was inspired by noting that the local kinetic energy of shear strain rate plays a role analogous to the local kinetic energy of eddies in turbulent flow.
Pressure and kinetic energy transport across the cavity mouth in resonating cavities.
Bailey, Peter Roger; Abbá, Antonella; Tordella, Daniela
2013-01-01
Basic properties of the incompressible fluid motion in a rectangular cavity located along one wall of a plane channel are considered. For Mach numbers of the order of 1×10(-3) and using the incompressible formulation, we look for observable properties that can be associated with acoustic emission, which is normally observed in this kind of flow beyond a critical value of Reynolds number. The focus is put on the energy dynamics, in particular on the accumulation of energy in the cavity which takes place in the form of pressure and kinetic energy. By increasing the external forcing, we observe that the pressure flow into the cavity increases very rapidly, then peaks. However, the flow of kinetic energy, which is many orders of magnitude lower than that of the pressure, slowly but continuously grows. This leads to the pressure-kinetic energy flows ratio reaching an asymptotic state around the value 1000 for the channel bulk speed Reynolds number. It is interesting to note that beyond this threshold when the channel flow is highly unsteady-a sort of coarse turbulent flow-a sequence of high and low pressure spots is seen to depart from the downward cavity step in the statistically averaged field. The set of spots forms a steady spatial structure, a sort of damped standing wave stretching along the spanwise direction. The line joining the centers of the spots has an inclination similar to the normal to the fronts of density or pressure waves, which are observed to propagate from the downstream cavity edge in compressible cavity flows (at Mach numbers of 1×10(2) to 1×10(3), larger than those considered here). The wavelength of the standing wave is of the order of 1/8 the cavity depth and observed at the channel bulk Reynolds number, Re~2900. In this condition, the measure of the maximum pressure differences in the cavity field shows values of the order of 1×10(-1) Pa. We interpret the presence of this sort of wave as the fingerprint of the noise emission spots which
Zhang, Jingyan; Ge, Zhishen; Jiang, Xiaoze; Hassan, P A; Liu, Shiyong
2007-12-15
The kinetics and mechanism of sphere-to-rod transitions of sodium alkyl sulfate micelles induced by hydrotropic salt, p-toluidine hydrochloride (PTHC), were investigated by stopped-flow with light scattering detection. Spherical sodium dodecyl sulfate (SDS) micelles transform into short ellipsoidal shapes at low salt concentrations ([PTHC]/[SDS], chi(PTHC)=0.3 and 0.4). Upon stopped-flow mixing aqueous solutions of spherical SDS micelles with PTHC, the scattered light intensity gradually increases with time. Single exponential fitting of the dynamic traces leads to characteristic relaxation time, tau(g), for the growth process from spherical to ellipsoidal micelles, and it increases with increasing SDS concentrations. This suggests that ellipsoidal micelles might be produced by successive insertion of unimers into spherical micelles, similar to the case of formation of spherical micelles as suggested by Aniansson-Wall (A-W) theory. At chi(PTHC) > or = 0.5, rod-like micelles with much higher axial ratio form. The scattered light intensity exhibits an initially abrupt increase and then levels off. The dynamic curves can be well fitted with single exponential functions, and the obtained tau(g) decreases with increasing SDS concentration. Thus, the growth from spherical to rod-like micelles might proceed via fusion of spherical micelles, in agreement with mechanism proposed by Ikeda et al. At chi(PTHC)=0.3 and 0.6, the apparent activation energies obtained from temperature dependent kinetic studies for the micellar growth are 40.4 and 3.6 kJ/mol, respectively. The large differences between activation energies for the growth from spherical to ellipsoidal micelles at low chi(PTHC) and the sphere-to-rod transition at high chi(PTHC) further indicate that they should follow different mechanisms. Moreover, the sphere-to-rod transition kinetics of sodium alkyl sulfate with varying hydrophobic chain lengths (n=10, 12, 14, and 16) are also studied. The longer the carbon chain
NASA Astrophysics Data System (ADS)
Siminos, Evangelos; Svedung Wettervik, Benjamin; Grech, Mickael; Fülöp, Tünde
2016-10-01
We study kinetic effects responsible for the transition to relativistic self-induced transparency in the interaction of a circularly-polarized laser-pulse with an overdense plasma and their relation to hole-boring and ion acceleration. It is shown, using particle-in-cell simulations and an analysis of separatrices in single-particle phase-space, that this transition is mediated by the complex interplay of fast electron dynamics and ion motion at the initial stage of the interaction. It thus depends on the ion charge-to-mass ratio and can be controlled by varying the laser temporal profile. Moreover, we find a new regime in which a transition from relativistic transparency to hole-boring occurs dynamically during the course of the interaction. It is shown that, for a fixed laser intensity, this dynamic transition regime allows optimal ion acceleration in terms of both energy and energy spread. This work was supported by the Knut and Alice Wallenberg Foundation (
Campos, Eldo; Moraes, Jorge; Façanha, Arnoldo R; Moreira, Erica; Valle, Denise; Abreu, Leonardo; Manso, Pedro P A; Nascimento, Aline; Pelajo-Machado, Marcelo; Lenzi, Henrique; Masuda, Aoi; Vaz, Itabajara da Silva; Logullo, Carlos
2006-06-15
The present work evaluates the kinetics of utilization of the main potential energy sources throughout the embryonic developmental stages of Boophilus microplus. The embryonic development of this arthropod is completed in 21 days. Cellularization of the blastoderm occurs on the 6th day and is rapidly followed by germ band extension and segmentation, whose first signs are visible on the 7th day. Cellularization is typically a maternal-driven process, carried out by molecular determinants deposited in the oocyte during oogenesis. On the other hand, segmentation is of zygotic nature, being the consequence of the synthesis of various components by the growing embryo. The enhancement in total B. microplus RNA was observed after cellularization, corroborating the replacement of maternal-driven processes by embryonic zygotic expression. An abrupt increase in oxygen consumption was observed from cellularization until the 8th day of development. The reduction in dry weight at the same period and the susceptibility of oxygen consumption to KCN suggest that the respiration process is activated during early embryonic development. A marked decrease in total lipid content occurred between the 5th and 7th days of development, suggesting this is the main energy source for cellularization. A major reduction in carbohydrate content occurred later, between the 7th and 9th days, and it could be assigned to the morphological segmentation of the embryo. Although the total amount of proteins remains unchanged from oviposition to hatching, a 15% reduction in vitellin (VT) content was observed before cellularization, up to the 4th day after egglaying. This observation was correlated to the synthesis of new proteins needed to support early embryo development. Additional 20% of VT was consumed thereafter, mainly at the end of embryogenesis, and in this case VT is probably used as energy source to the older embryo. Altogether, these data indicate different energy sources for maternal and
Spider orb webs rely on radial threads to absorb prey kinetic energy.
Sensenig, Andrew T; Lorentz, Kimberly A; Kelly, Sean P; Blackledge, Todd A
2012-08-07
The kinetic energy of flying insect prey is a formidable challenge for orb-weaving spiders. These spiders construct two-dimensional, round webs from a combination of stiff, strong radial silk and highly elastic, glue-coated capture spirals. Orb webs must first stop the flight of insect prey and then retain those insects long enough to be subdued by the spiders. Consequently, spider silks rank among the toughest known biomaterials. The large number of silk threads composing a web suggests that aerodynamic dissipation may also play an important role in stopping prey. Here, we quantify energy dissipation in orb webs spun by diverse species of spiders using data derived from high-speed videos of web deformation under prey impact. By integrating video data with material testing of silks, we compare the relative contributions of radial silk, the capture spiral and aerodynamic dissipation. Radial silk dominated energy absorption in all webs, with the potential to account for approximately 100 per cent of the work of stopping prey in larger webs. The most generous estimates for the roles of capture spirals and aerodynamic dissipation show that they rarely contribute more than 30 per cent and 10 per cent of the total work of stopping prey, respectively, and then only for smaller orb webs. The reliance of spider orb webs upon internal energy absorption by radial threads for prey capture suggests that the material properties of the capture spirals are largely unconstrained by the selective pressures of stopping prey and can instead evolve freely in response to alternative functional constraints such as adhering to prey.
Chodankar, S; Aswal, V K; Kohlbrecher, J; Vavrin, R; Wagh, A G
2009-02-01
The phase diagram, structural evolution, and kinetics of temperature-induced protein gelation of protein Bovine Serum Albumin (BSA) have been studied as a function of solution pH and protein concentration. The protein gelation temperature represents the onset of turbidity in the protein solution, which increases significantly with increasing pH beyond the isoelectric pH of the protein molecule. On the other hand, the gelation temperature decreases with an increase in protein concentration only in the low-protein-concentration regime and shows a small increasing trend at higher protein concentrations. The structural evolution and kinetics of protein gelation have been studied using small-angle neutron scattering. The structure of the protein molecule remains stable up to temperatures very close to the gelation temperature. On increasing the temperature above the gelation temperature, the protein solution exhibits a fractal structure, an indication of gel formation due to aggregation. The fractal dimension of the gel increases with increasing temperature, suggesting an increase in branching between the aggregates, which leads to stronger gels. The increase in both solution pH and protein concentration is found to delay the growth in the fractal structure and its saturation. The kinetics of gelation has been studied using the temperature-jump process of heating. It is found that the structure of the protein gels remains invariant after the heating time ( approximately 1 min), indicating a rapid formation of gel structure within this time. The protein gels prepared through gradual and temperature-jump heating routes do not always show the same structure. In particular, at higher temperatures (e.g., 85 degrees C ), while gradual heating shows a fractal structure, there is collapse of such fractal structure during temperature-jump heating.
Smith, R. Scott; Matthiesen, Jesper; Knox, Jake R.; Kay, Bruce D.
2011-06-16
Temperature-programmed desorption (TPD) and reflection absorption infrared spectroscopy (RAIRS) are used to investigate the crystallization kinetics and measure the excess free energy of metastable amorphous solid water films (ASW) of H2O and D2O grown using molecular beams. The desorption rates from the amorphous and crystalline phases of ASW are distinct, and as such, crystallization manifests can be observed in the TPD spectrum. The crystallization kinetics were studied by varying the TPD heating rate from 0.001 to 3 K/s. A coupled desorptioncrystallization kinetic model accurately simulates the desorption spectra and accurately predicts the observed temperature shifts in the crystallization. Isothermal crystallization studies using RAIRS are in agreement with the TPD results. Furthermore, highly sensitive measurements of the desorption rates were used to determine the excess free energy of ASW near 150 K. The excess entropy obtained from these data are consistent with there being a thermodynamic continuity between ASW and supercooled liquid water.
Kirtania, Kawnish; Bhattacharya, Sankar
2012-03-01
Apart from capturing carbon dioxide, fresh water algae can be used to produce biofuel. To assess the energy potential of Chlorococcum humicola, the alga's pyrolytic behavior was studied at heating rates of 5-20K/min in a thermobalance. To model the weight loss characteristics, an algorithm was developed based on the distributed activation energy model and applied to experimental data to extract the kinetics of the decomposition process. When the kinetic parameters estimated by this method were applied to another set of experimental data which were not used to estimate the parameters, the model was capable of predicting the pyrolysis behavior, in the new set of data with a R(2) value of 0.999479. The slow weight loss, that took place at the end of the pyrolysis process, was also accounted for by the proposed algorithm which is capable of predicting the pyrolysis kinetics of C. humicola at different heating rates.
Machado, Leandro; Fernandes, Ricardo Jorge; Greco, Camila Coelho
2017-01-01
The purpose of this study was to examine the oxygen uptake (V˙O2) kinetics and the energy systems’ contribution at 97.5, 100 and 102.5% of the maximal lactate steady state (MLSS) swimming intensity. Ten elite female swimmers performed three-to-five 30 min submaximal constant swimming bouts at imposed paces for the determination of the swimming velocity (v) at 100%MLSS based on a 7 x 200 m intermittent incremental protocol until voluntary exhaustion to find the v associated at the individual anaerobic threshold. V˙O2 kinetics (cardiodynamic, primary and slow component phases) and the aerobic and anaerobic energy contributions were assessed during the continuous exercises, which the former was studied for the beginning and second phase of exercise. Subjects showed similar time delay (TD) (mean = 11.5–14.3 s) and time constant (τp) (mean = 13.8–16.3 s) as a function of v, but reduced amplitude of the primary component for 97.5% (35.7 ± 7.3 mL.kg.min-1) compared to 100 and 102.5%MLSS (41.0 ± 7.0 and 41.3 ± 5.4 mL.kg.min-1, respectively), and τp decreased (mean = 9.6–10.8 s) during the second phase of exercise. Despite the slow component did not occur for all swimmers at all swim intensities, when observed it tended to increase as a function of v. Moreover, the total energy contribution was almost exclusively aerobic (98–99%) at 97.5, 100 and 102.5%MLSS. We suggest that well-trained endurance swimmers with a fast TD and τp values may be able to adjust faster the physiological requirements to minimize the amplitude of the slow component appearance, parameter associated with the fatigue delay and increase in exhaustion time during performance, however, these fast adjustments were not able to control the progressive fatigue occurred slightly above MLSS, and most of swimmers reached exhaustion before 30min swam. PMID:28245246
Pelarigo, Jailton Gregório; Machado, Leandro; Fernandes, Ricardo Jorge; Greco, Camila Coelho; Vilas-Boas, João Paulo
2017-01-01
The purpose of this study was to examine the oxygen uptake ([Formula: see text]) kinetics and the energy systems' contribution at 97.5, 100 and 102.5% of the maximal lactate steady state (MLSS) swimming intensity. Ten elite female swimmers performed three-to-five 30 min submaximal constant swimming bouts at imposed paces for the determination of the swimming velocity (v) at 100%MLSS based on a 7 x 200 m intermittent incremental protocol until voluntary exhaustion to find the v associated at the individual anaerobic threshold. [Formula: see text] kinetics (cardiodynamic, primary and slow component phases) and the aerobic and anaerobic energy contributions were assessed during the continuous exercises, which the former was studied for the beginning and second phase of exercise. Subjects showed similar time delay (TD) (mean = 11.5-14.3 s) and time constant (τp) (mean = 13.8-16.3 s) as a function of v, but reduced amplitude of the primary component for 97.5% (35.7 ± 7.3 mL.kg.min-1) compared to 100 and 102.5%MLSS (41.0 ± 7.0 and 41.3 ± 5.4 mL.kg.min-1, respectively), and τp decreased (mean = 9.6-10.8 s) during the second phase of exercise. Despite the slow component did not occur for all swimmers at all swim intensities, when observed it tended to increase as a function of v. Moreover, the total energy contribution was almost exclusively aerobic (98-99%) at 97.5, 100 and 102.5%MLSS. We suggest that well-trained endurance swimmers with a fast TD and τp values may be able to adjust faster the physiological requirements to minimize the amplitude of the slow component appearance, parameter associated with the fatigue delay and increase in exhaustion time during performance, however, these fast adjustments were not able to control the progressive fatigue occurred slightly above MLSS, and most of swimmers reached exhaustion before 30min swam.
Optimization of kinetic energy harvesters design for fully implantable Cochlear Implants.
Sudano, A; Accoto, D; Francomano, M T; Salvinelli, F; Guglielmelli, E
2011-01-01
Fully implantable Cochlear Implants (CIs) would represent a tremendous advancement in terms of quality of life, comfort and cosmetics, for patients with profound sensorineural deafness. One of the main challenges involved in the development of such implants consists of finding a power supply means which does not require recharging. To this aim an inertial Energy Harvester (EH), exploiting the kinetic energy produced by vertical movements of the head during walking, has been investigated. Compared to existing devices, the EH needs to exploit very low frequency vibrations (<2.5 Hz) with small amplitude (<9 m/s(2)). In order to maximize the power transduced, an optimization method has been developed, which is the objective of this paper. The method consists in calculating the dynamical behavior of the EH using discrete transforms of experimentally measured acceleration profiles. It is shown that the quick integration of the second order dynamical equation allows the use of computationally intensive optimization techniques, such as Genetic Algorithms (GAs). The robustness of the solution is also evaluated.
The horizontal planar structure of kinetic energy in a model vertical-axis wind turbine array
NASA Astrophysics Data System (ADS)
Craig, Anna; Zeller, Robert; Zarama, Francisco; Weitzman, Joel; Dabiri, John; Koseff, Jeffrey
2013-11-01
Recent studies have indicated that arrays of vertical axis wind turbines (VAWTs) could potentially harvest significantly more power per unit land area than arrays composed of conventional horizontal axis wind turbines. However, to design VAWT arrays for optimal power conversion, a more comprehensive understanding of inter-turbine energy transfer is needed. In the presented study, a geometrically scaled array of rotating circular cylinders is used to model a VAWT array. The horizontal inter-cylinder mean fluid velocities and Reynolds stresses are measured on several cross-sections using 2D particle image velocimetry in a flume. Two orientations of the array relative to the incoming flow are tested. The results indicate that cylinder rotation drives asymmetric mean flow patterns within and above the array, resulting in non-uniform distributions of turbulent kinetic energy. The variability is observed to be directly related to the ratio of the cylinder rotation speed to the streamwise water velocity. Emphasis is placed on the implications of the asymmetries for power production. Work supported by a Stanford Graduate Fellowship to A.E.C, by funding to J.O.D. from ONR N000141211047 and the Gordon and Betty Moore Foundation through Grant GBMF2645, and by funding from the Environmental Fluid Mechanics Laboratory, Stanford University.
Geopolymerisation Kinetics. 1. In situ Energy-Dispersive X-ray Diffractometry
Provis,J.; van Deventer, J.
2007-01-01
In situ energy-dispersive X-ray diffractometry, using a polychromatic synchrotron beam and a 'laboratory-sized' sample, is used to provide a direct measurement of the kinetics of geopolymerisation. The effects of sample SiO{sub 2}/Al{sub 2}O{sub 3} ratio, Na/(Na+K) ratio and reaction temperature are investigated. The results obtained support recent propositions that the initial gel phase formed during geopolymerisation is later transformed to a second, probably more-ordered gel phase, and provide detailed information regarding the rate of formation of the first gel phase during the first 3 h of reaction. Increasing the SiO{sub 2}/Al{sub 2}O{sub 3} ratio generally decreases the initial rate of reaction, with the highest SiO{sub 2}/Al{sub 2}O{sub 3} ratio samples showing what appears to be a pause in the reaction corresponding roughly to the solidification of the geopolymeric binder. Mixed (Na,K)-aluminosilicate geopolymers with moderate SiO{sub 2}/Al{sub 2}O{sub 3} ratios behave similarly to pure Na- or K-aluminosilicate compositions of higher SiO{sub 2}/Al{sub 2}O{sub 3} ratio. Fitting a simplified first-order rate expression to the overall reaction process at different temperatures allows the calculation of an effective overall activation energy, which may be useful in comparing geopolymerisation of slurries with different compositions.
Kinetic and thermal energy dissipation rates in two-dimensional Rayleigh-Taylor turbulence
NASA Astrophysics Data System (ADS)
Zhou, Quan; Jiang, Lin-Feng
2016-04-01
The statistical properties of the kinetic ɛu and thermal ɛθ energy dissipation rates in two-dimensional Rayleigh-Taylor (RT) turbulence are studied by means of direct numerical simulations at small Atwood number and unit Prandtl number. Although ɛθ is important but ɛu can be neglected in the energy transport processes, the probability density functions of ɛu and ɛθ both show self-similarity properties during the RT evolution. The distributions are well fitted by a stretched exponential function and found to depart distinctly from the log-normal distribution for small amplitudes. Within the turbulent range, the intense dissipation events occur near the interfaces of hot and cold fluids, leading to a strong positive correlation between ɛu and ɛθ. Our results further reveal that although there is no constant fractal dimension for the fluid interfaces within the inertial range, the local fractal dimensions obtained at different times share similar scale-dependence.
Kinetics of Light-induced Metastable Defect Creation and Annealing in a-Si:H
NASA Astrophysics Data System (ADS)
Kodolbaþ, Alp Osman; Eray, Aynur; Öktü, Özcan
2002-01-01
Constant Photocurrent Method (CPM) and steady state photoconductivity measurements are used to investigate the creation of light-induced metastable defects in a-Si:H at room temperature and their annealing. Light-induced metastable defect concentration Nd varies with exposure time teas ter with r=0.34 ± 0.02, as expected from the recombination induced weak bond breaking model [1]. The validity of a stretched exponential model is also studied [2]. From the annealing experiments, the distribution of thermal annealing activation energies is calculated following the method proposed by Hata and Wagner [3]. Defects created at room temperature show a narrow distribution of annealing activation energies peaking at 0.97eV. The relation between photoconductivity and Nd is strongly nonlinear. Defects created at earlier times of illumination degrade photoconductivity more strongly, and these defects anneal out more easily than those created at later times of illumination.
Hache, John J.; Laskin, Julia ); Futrell, Jean H. )
2002-12-19
Kinetic energy release distributions (KERDs) upon dissociation of proton-bound dimers are utilized along with Finite Heat Bath theory analysis to obtain relative proton affinities of monomeric species composing the dimer. The proposed approach allows accurate measurement of relative proton affinities based on KERD measurements for the compound with unknown thermochemical properties versus a single reference base. It also allows distinguishing the cases when dissociation of proton-bound dimers is associated with reverse activation barrier, for which both our approach and the kinetic method become inapplicable. Results are reported for the n-butanol-n-propanol dimer, for which there is no significant difference in entropy effects for two reactions and for the pyrrolidine-1,2-ethylenediamine dimer, which is characterized by a significant difference in entropy effects for the two competing reactions. Relative protonation affinities of -1.0?0.3 kcal/mol for the n-butanol-n-propanol pair and 0.27?0.10 kcal/mol for the pyrrolidine-1,2-ethylenediamine pair are in good agreement with literature values. Relative reaction entropies were extracted from the branching ratio and KERD measurements. Good correspondence was found between the relative reaction entropies for the n-butanol-n-propanol dimer (D(DS?)=-0.3?1.5 cal/mol K) and the relative protonation entropy for the two monomers (D(DSp)=0). However, the relative reaction entropy for the pyrrolidine-1,2-ethylenediamine dimer is higher than the difference in protonation entropies (D(DS?)=8.2?0.5 cal/mol K vs. D(DSp)=5 cal/mol K).
Lowry, Troy W.; Hariri, Hanaa; Prommapan, Plengchart; Kusi-Appiah, Aubrey; Vafai, Nicholas; Bienkiewicz, Ewa A.; Van Winkle, David H.; Stagg, Scott M.
2016-01-01
The dynamic self-organization of lipids in biological systems is a highly regulated process that enables the compartmentalization of living systems at micro- and nanoscopic scales. Consequently, quantitative methods for assaying the kinetics of supramolecular remodeling such as vesicle formation from planar lipid bilayers or multilayers are needed to understand cellular self-organization. Here, a new nanotechnology-based method for quantitative measurements of lipid–protein interactions is presented and its suitability for quantifying the membrane binding, inflation, and budding activity of the membrane-remodeling protein Sar1 is demonstrated. Lipid multilayer gratings are printed onto surfaces using nanointaglio and exposed to Sar1, resulting in the inflation of lipid multilayers into unilamellar structures, which can be observed in a label-free manner by monitoring the diffracted light. Local variations in lipid multilayer volume on the surface is used to vary substrate availability in a microarray format. A quantitative model is developed that allows quantification of binding affinity (KD) and kinetics (kon and koff). Importantly, this assay is uniquely capable of quantifying membrane remodeling. Upon Sar1-induced inflation of single bilayers from surface supported multilayers, the semicylindrical grating lines are observed to remodel into semispherical buds when a critical radius of curvature is reached. PMID:26649649
Lowry, Troy W; Hariri, Hanaa; Prommapan, Plengchart; Kusi-Appiah, Aubrey; Vafai, Nicholas; Bienkiewicz, Ewa A; Van Winkle, David H; Stagg, Scott M; Lenhert, Steven
2016-01-27
The dynamic self-organization of lipids in biological systems is a highly regulated process that enables the compartmentalization of living systems at micro- and nanoscopic scales. Consequently, quantitative methods for assaying the kinetics of supramolecular remodeling such as vesicle formation from planar lipid bilayers or multilayers are needed to understand cellular self-organization. Here, a new nanotechnology-based method for quantitative measurements of lipid-protein interactions is presented and its suitability for quantifying the membrane binding, inflation, and budding activity of the membrane-remodeling protein Sar1 is demonstrated. Lipid multilayer gratings are printed onto surfaces using nanointaglio and exposed to Sar1, resulting in the inflation of lipid multilayers into unilamellar structures, which can be observed in a label-free manner by monitoring the diffracted light. Local variations in lipid multilayer volume on the surface is used to vary substrate availability in a microarray format. A quantitative model is developed that allows quantification of binding affinity (K D ) and kinetics (kon and koff ). Importantly, this assay is uniquely capable of quantifying membrane remodeling. Upon Sar1-induced inflation of single bilayers from surface supported multilayers, the semicylindrical grating lines are observed to remodel into semispherical buds when a critical radius of curvature is reached.
Experimental investigation of ≈130 keV kinetic energy antiprotons annihilation on nuclei
NASA Astrophysics Data System (ADS)
Aghai-Khozani, H.; Barna, D.; Corradini, M.; Hayano, R.; Hori, M.; Kobayashi, T.; Leali, M.; Lodi-Rizzini, E.; Mascagna, V.; Prest, M.; Soter, A.; Todoroki, K.; Vallazza, E.; Venturelli, L.; Zurlo, N.
2014-04-01
The study of the antiproton ( bar {p}) annihilation cross section on nuclei at low energies (eV-MeV region) has implications for fundamental cosmology as well as for nuclear physics. Concerning the former, different models try to explain the matter/antimatter asymmetry in the universe assuming the existence of the so-called "islands" where antinucleon-nucleon annihilations occur in the border region (Cohen et al. Astrophys. J. 495, 539-549, 1998), while, from the nuclear physics point of view, the annihilation process is a valuable tool to evaluate the neutron/proton ratio in order to probe the external region of the nucleus (Gupta et al. Nucl. Phys. B 70(3), 414-424, 1974). The existing data of antinucleon-nucleon (or -nucleus) annihilation cross-sections are mainly confined to energies above ≈1 MeV, while the cross section measured at LEAR in the 80's-90's (mostly with light targets Agnello et al. Phys. Lett. B 256, 349-353, 1991; Bertin et al. Phys. Lett. B 369, 77-85, 1996; Bertin et al. Phys. Lett. B 414, 220-228, 1997; Zenoni et al. Phys. Lett. B 461, 405-412, 1999; Bianconi et al. Phys. Lett. B 481, 194-198, 2000; Bianconi et al. Phys. Lett. B 492, 254-258, 2000) showed an unexpected behaviour for energies below 1 MeV (Bianconi et al. Phys. Lett. B 483, 353-359, 2000; Bianconi et al. Phys. Rev. C 62, 014611-7, 2000; Batty et al. Nucl. Phys. A 689, 721-740, 2001). The results showed a saturation with the atomic mass number against the A 2/3 trend which is observed for higher energies (being A the target mass number). The ASACUSA collaboration at CERN recently measured antiproton annihilation cross section on different kinds of nuclei with a bar {p} kinetic energy of 5.3 MeV (Bianconi et al. Phys. Lett. B 704, 461-466, 2011; Corradini et al. Nucl. Instr. Methods A 711, 12-20, 2013). Such results proved compatibility with the black-disk model with the Coulomb correction. But till now experimental difficulties prevented the investigation at energies below ≈1
Efficiency of Magnetic to Kinetic Energy Conversion in a Monopole Magnetosphere
NASA Astrophysics Data System (ADS)
Tchekhovskoy, Alexander; McKinney, Jonathan C.; Narayan, Ramesh
2009-07-01
Unconfined relativistic outflows from rotating, magnetized compact objects are often well modeled by assuming that the field geometry is approximately a split-monopole at large radii. Earlier work has indicated that such an unconfined flow has an inefficient conversion of magnetic energy to kinetic energy. This has led to the conclusion that ideal magnetohydrodynamical (MHD) processes fail to explain observations of, e.g., the Crab pulsar wind at large radii where energy conversion appears efficient. In addition, as a model for astrophysical jets, the monopole field geometry has been abandoned in favor of externally confined jets since the latter appeared to be generically more efficient jet accelerators. We perform time-dependent axisymmetric relativistic MHD simulations in order to find steady-state solutions for a wind from a compact object endowed with a monopole field geometry. Our simulations follow the outflow for 10 orders of magnitude in distance from the compact object, which is large enough to study both the initial "acceleration zone" of the magnetized wind as well as the asymptotic "coasting zone." We obtain the surprising result that acceleration is actually efficient in the polar region, which develops a jet despite not being confined by an external medium. Our models contain jets that have sufficient energy to account for moderately energetic long and short gamma-ray burst (GRB) events (~1051-1052 erg), collimate into narrow opening angles (opening half-angle θ j ≈ 0.03 rad), become matter-dominated at large radii (electromagnetic energy flux per unit matter energy flux σ < 1), and move at ultrarelativistic Lorentz factors (γ j ~ 200 for our fiducial model). The simulated jets have γ j θ j ~ 5-15, so they are in principle capable of generating "achromatic jet breaks" in GRB afterglow light curves. By defining a "causality surface" beyond which the jet cannot communicate with a generalized "magnetic nozzle" near the axis of rotation, we obtain
Two-stage kinetics of field-induced aggregation of medium-sized magnetic nanoparticles
NASA Astrophysics Data System (ADS)
Ezzaier, H.; Alves Marins, J.; Razvin, I.; Abbas, M.; Ben Haj Amara, A.; Zubarev, A.; Kuzhir, P.
2017-03-01
The present paper is focused on the theoretical and experimental study of the kinetics of field-induced aggregation of magnetic nanoparticles of a size range of 20-100 nm. Our results demonstrate that (a) in polydisperse suspensions, the largest particles could play a role of the centers of nucleation for smaller particles during the earliest heterogeneous nucleation stage; (b) an intermediate stage of the aggregate growth (due to diffusion and migration of individual nanoparticles towards the aggregates) is weakly influenced by the magnetic field strength, at least at high supersaturation; (c) the stage of direct coalescence of drop-like aggregates (occurring under magnetic attraction between them) plays a dominant role at the intermediate and late stages of the phase separation, with the time scale decreasing as a square of the aggregate magnetization.
[Studying kinetics of oxime-induced reactivation of malathion-inhibited cholinesterase].
Iudin, M A; Lantukhov, D V; Vengerovich, N G
2013-01-01
The kinetics of oxime-induced reactivation of malathion-inhibited cholinesterase has been experimentally studied in vitro. It is shown that oximes do not restore the activity of inhibited butyrylcholinesterase. Acetylcholinesterase reactivation peak (5-mins long) was found to take place upon introduction of dipyroxime (32.5%), pralidoxime (18%), carboxyme (16%) at a concentration of 2.5 x 10(-4) mol/l or toxogonine (26%) at a concentration of 5 x 10(-4) mol/l. Toxogonine demonstrated the maximum affinity to phosphorylated enzyme, while dipyroxime is characterized by a high reactivity with respect to oxime. Significant reactivating ability of these preparations (kR -2300 mol(-1) min(-1) makes them promising solution for the treatment of malathion intoxication.
Ma, Qianli; Dagdigian, Paul J
2011-07-01
A kinetic model previously developed to predict the relative intensities of atomic emission lines in laser-induced breakdown spectroscopy has been extended to include processes related to CN and C(2) molecular emissions. Simulations with this model were performed to predict the relative excited-state populations. The results from the simulations are compared with experimentally determined excited-state populations from 1,064 nm laser irradiation of organic residues on aluminum foil. The model reasonably predicts the relative intensity of the molecular emissions. Significantly, the model reproduces the vastly different temporal profiles of the atomic and molecular emissions. The latter are found to extend to much longer times after the laser pulse, and this appears to be due to the increasing concentration of the molecules versus time. From the simulations, the important processes affecting the CN and C(2) concentrations are identified.
Skrdla, Peter J
2011-06-23
The activation energy distributions underpinning the two complementary dispersive kinetic models described by the author in a recent work (Skrdla, P. J. J. Phys. Chem. A 2009, 113, 9329) are derived and investigated. In the case of nucleation rate-limited conversions, which exhibit "acceleratory" sigmoidal transients (a kind of S-shaped stretched exponential conversion profile), an activation energy distribution visually similar to the Maxwell-Boltzmann (M-B) distribution is recovered, consistent with the original derivation of that model. In the case of predominantly "deceleratory" conversions, the activation energy distribution is skewed from normal in the opposite direction. While the "M-B-like" activation energy distribution supports the empirical observation of a rate enhancement as a function of the conversion time in nucleation rate-limited processes, the complementary distribution, with its pronounced low-energy tail, reflects a slow-down in the specific rate as the conversion progresses, consistent with experimentally observed denucleation rate-limited conversions. Activation energy distributions were also plotted for real-world data (Qu, H.; Louhi-Kultanen, M.; Kallas, J. Cryst. Growth Des. 2007, 7, 724), depicting the impact of various additives on the nucleation rate-limited kinetics of the solvent-mediated phase transformation of the crystalline drug carbamazepine. Last, by coupling the author's dispersive kinetic description of the time-dependent activation energy for nucleation to the classical description of the critical nucleus energy provided by the Kelvin equation, an accelerated hopping mechanism for the diffusion of monomers to the growing embryo surface was observed. That hopping mechanism was rationalized by modifying the Einstein-Smoluchowski (E-S) equation to allow it to describe the "supra-brownian" molecular motion thought to lie at the heart of nucleation kinetics.
Light induced oxidative water splitting in photosynthesis: energetics, kinetics and mechanism.
Renger, Gernot
2011-01-01
The essential steps of photosynthetic water splitting take place in Photosystem II (PSII) and comprise three different reaction sequences: (i) light induced formation of the radical pair P680(+)Q(A)(-), (ii) P680(+) driven oxidative water splitting into O(2) and four protons, and (iii) two step plastoquinone reduction to plastoquinol by Q(A)(-). This mini-review briefly summarizes our state of knowledge on energetics, kinetics and mechanism of oxidative water splitting. Essential features of the two types of reactions involved are described: (a) P680(+) reduction by the redox active tyrosine Y(z) and (b) sequence of oxidation steps induced by Y(z)(ox) in the water-oxidizing complex (WOC). The rate of the former reaction is limited by the non-adiabatic electron transfer (NET) step and the multi-phase kinetics shown to originate from a sequence of relaxation processes. In marked contrast, the rate of the stepwise oxidation by Y(z)(ox) of the WOC up to the redox level S(3) is not limited by NET but by trigger reactions which probably comprise proton shifts and/or conformational changes. The overall rate of the final reaction sequence leading to formation and release of O(2) is assumed to be limited by the electron transfer step from the S(3) state of WOC to Y(z)(ox) due to involvement of an endergonic redox equilibrium. Currently discussed controversial ideas on possible pathways are briefly outlined. Several crucial points of the mechanism of oxidative water splitting, like O-O bond formation, role of local proton shift(s), details of hydrogen bonding, are still not clarified and remain a challenging topic of future research.
Hulet, E.K.; Wild, J.F.; Lougheed, R.W.; Baisden, P.A.; Dougan, R.J.; Mustafa, M.G.
1980-10-01
The fragment energies of about 725 coincidence events have now been observed in the spontaneous fission (SF) decay of 105-min /sup 259/Md since its discovery in 1977. The fission of /sup 259/Md is characterized by a symmetric mass distribution, similar to those of /sup 258/Fm and /sup 259/Fm, but with a broad total kinetic energy (anti TKE) distribution which peaks at about 195 MeV, in contrast to those of /sup 258/Fm and /sup 259/Fm, for which the anti TKE is about 240 MeV. This kinetic energy deficit, approx. 40 MeV, has been postulated to be due to the emission of hydrogen-like particles by /sup 259/Md at the scission point in a large fraction of the fissions, leaving the residual fissioning nucleus with 100 protons. The residual nucleus would then be able to divide into two ultrastable tin-like fission fragments, but with less kinetic energy than that observed in the SF of /sup 258/Fm and /sup 259/Fm, because of binding-energy losses and a reduction in the Coulomb repulsion of the major fragments. To test this hypothesis, counter-telescope experiments aimed at detecting and identifying these light particles were performed. In 439 SF events 3 + 3 protons of the appropriate energy were observed, too few to account for the kinetic energy deficit in the fission of /sup 259/Md. There seems to be no explanation for this problem within the framework of current fission theory. These results are discussed along with preliminary measurements of light-particle emission in the SF of /sup 256/Fm. 5 figures.
Membrane bending energy and fusion pore kinetics in Ca(2+)-triggered exocytosis.
Zhang, Zhen; Jackson, Meyer B
2010-06-02
A fusion pore composed of lipid is an obligatory kinetic intermediate of membrane fusion, and its formation requires energy to bend membranes into highly curved shapes. The energetics of such deformations in viral fusion is well established, but the role of membrane bending in Ca(2+)-triggered exocytosis remains largely untested. Amperometry recording showed that during exocytosis in chromaffin and PC12 cells, fusion pores formed by smaller vesicles dilated more rapidly than fusion pores formed by larger vesicles. The logarithm of 1/(fusion pore lifetime) varied linearly with vesicle curvature. The vesicle size dependence of fusion pore lifetime quantitatively accounted for the nonexponential fusion pore lifetime distribution. Experimentally manipulating vesicle size failed to alter the size dependence of fusion pore lifetime. Manipulations of membrane spontaneous curvature altered this dependence, and applying the curvature perturbants to the opposite side of the membrane reversed their effects. These effects of curvature perturbants were opposite to those seen in viral fusion. These results indicate that during Ca(2+)-triggered exocytosis membrane bending opposes fusion pore dilation rather than fusion pore formation. Ca(2+)-triggered exocytosis begins with a proteinaceous fusion pore with less stressed membrane, and becomes lipidic as it dilates, bending membrane into a highly curved shape.
Production and destruction of eddy kinetic energy in forced submesoscale eddy-resolving simulations
NASA Astrophysics Data System (ADS)
Mukherjee, Sonaljit; Ramachandran, Sanjiv; Tandon, Amit; Mahadevan, Amala
2016-09-01
We study the production and dissipation of the eddy kinetic energy (EKE) in a submesoscale eddy field forced with downfront winds using the Process Study Ocean Model (PSOM) with a horizontal grid resolution of 0.5 km. We simulate an idealized 100 m deep mixed-layer front initially in geostrophic balance with a jet in a domain that permits eddies within a range of O(1 km-100 km). The vertical eddy viscosities and the dissipation are parameterized using four different subgrid vertical mixing parameterizations: the k - ɛ , the KPP, and two different constant eddy viscosity and diffusivity profiles with a magnitude of O(10-2m2s-1) in the mixed layer. Our study shows that strong vertical eddy viscosities near the surface reduce the parameterized dissipation, whereas strong vertical eddy diffusivities reduce the lateral buoyancy gradients and consequently the rate of restratification by mixed-layer instabilities (MLI). Our simulations show that near the surface, the spatial variability of the dissipation along the periphery of the eddies depends on the relative alignment of the ageostrophic and geostrophic shear. Analysis of the resolved EKE budgets in the frontal region from the simulations show important similarities between the vertical structure of the EKE budget produced by the k - ɛ and KPP parameterizations, and earlier LES studies. Such an agreement is absent in the simulations using constant eddy-viscosity parameterizations.
On the mean kinetic energy of the proton in strong hydrogen bonded systems
Finkelstein, Y.; Moreh, R.; Shang, S. L.; Wang, Y.; Liu, Z. K.; Shchur, Ya.
2016-02-07
The mean atomic kinetic energies of the proton, Ke(H), and of the deuteron, Ke(D), were calculated in moderate and strongly hydrogen bonded (HB) systems, such as the ferro-electric crystals of the KDP type (XH{sub 2}PO{sub 4}, X = K, Cs, Rb, Tl), the DKDP (XD{sub 2}PO{sub 4}, X = K, Cs, Rb) type, and the X{sub 3}H(SO{sub 4}){sub 2} superprotonic conductors (X = K, Rb). All calculations utilized the simulated partial phonon density of states, deduced from density functional theory based first-principle calculations and from empirical lattice dynamics simulations in which the Coulomb, short range, covalent, and van der Waals interactions were accounted for. The presently calculated Ke(H) values for the two systems were found to be in excellent agreement with published values obtained by deep inelastic neutron scattering measurements carried out using the VESUVIO instrument of the Rutherford Laboratory, UK. The Ke(H) values of the M{sub 3}H(SO{sub 4}){sub 2} compounds, in which the hydrogen bonds are centro-symmetric, are much lower than those of the KDP type crystals, in direct consistency with the oxygen-oxygen distance R{sub OO}, being a measure of the HB strength.
Connectivity of Marine Protected Areas and Its Relation with Total Kinetic Energy
D’Agostini, Andressa; Gherardi, Douglas Francisco Marcolino; Pezzi, Luciano Ponzi
2015-01-01
The East Continental Shelf (ECS) of Brazil is a hotspot of endemism and biodiversity of reef biota in the South Atlantic, hosting a number of Marine Protected Areas (MPAs). Connectivity of MPAs through larval dispersal influences recruitment, population dynamics, genetic structure and biogeography in coral reef ecosystems. Connectivity of protected reef ecosystem in the ECS was investigated with a hydrodynamic model (ROMS) forcing an Individual Based Model (IBM—Ichthyop), and used groupers (genus Mycteroperca) as functional group. The hydrodynamic output from ROMS was compared with satellite data and showed good agreement with observed surface fields. Eggs were released, in IBM experiments, from April to September along six years (2002–2007) in five MPAs along the ECS. Intrannual variability in recruitment and self-recruitment of grouper larvae was observed, as well as a negative correlation of these population parameters with total Kinetic Energy (KE) used as a metric of the physical environment. Higher KE leads to increased offshore advection of larvae, reduced total recruitment and connectivity of MPAs. Our results indicate high and uni-directional connectivity between MPAs from north to south influenced by the Brazil Current flowing in the same direction. Results also showed that some MPAs act predominantly as “sink” while others are mainly “source” areas. PMID:26448650
Improved Soft Abrasive Flow Finishing Method Based on Turbulent Kinetic Energy Enhancing
NASA Astrophysics Data System (ADS)
LI, Jun; JI, Shiming; TAN, Dapeng
2017-03-01
Soft abrasive flow(SAF) finishing can process the irregular geometric surfaces, but with the matter of low processing efficiency. To address the issue, an improved SAF finishing method based on turbulent kinetic energy enhancing is proposed. A constrained flow passage with serration cross-section is constructed to increase the turbulence intensity. Taking the constrained flow passage as the objective, a two-phase fluid dynamic model is set up by using particle trajectory model and standard k-ɛ turbulence model, and the flow field characteristics of the flow passage are acquired. The numerical results show that the serration flow passage can enhance the turbulence intensity, uniform the particles distribution, and increase the particle concentration near the bottom wall. The observation results by particle image velocimetry(PIV) show that the internal vortex structures are formed in flow passage, and the abrasive flow takes on turbulence concentrating phenomenon in near-wall region. The finishing experiments prove that the proposed method can obtain better surface uniformity, and the processing efficiency can be improved more 35%. This research provides an abrasive flow modeling method to reveal the particle motion regulars, and can offer references to the technical optimization of fluid-based precision processing.
Energy resolution and efficiency of phonon-mediated kinetic inductance detectors for light detection
Cardani, L.; Colantoni, I.; Coppolecchia, A.; Cruciani, A.; Vignati, M.; Bellini, F.; Casali, N.; Cosmelli, C.; Di Domizio, S.; Castellano, M. G.; Tomei, C.
2015-08-31
The development of sensitive cryogenic light detectors is of primary interest for bolometric experiments searching for rare events like dark matter interactions or neutrino-less double beta decay. Thanks to their good energy resolution and the natural multiplexed read-out, Kinetic Inductance Detectors (KIDs) are particularly suitable for this purpose. To efficiently couple KIDs-based light detectors to the large crystals used by the most advanced bolometric detectors, active surfaces of several cm{sup 2} are needed. For this reason, we are developing phonon-mediated detectors. In this paper, we present the results obtained with a prototype consisting of four 40 nm thick aluminum resonators patterned on a 2 × 2 cm{sup 2} silicon chip, and calibrated with optical pulses and X-rays. The detector features a noise resolution σ{sub E} = 154 ± 7 eV and an (18 ± 2)% efficiency.
Large-scale kinetic energy spectra from Eulerian analysis of EOLE wind data
NASA Technical Reports Server (NTRS)
Desbois, M.
1975-01-01
A data set of 56,000 winds determined from the horizontal displacements of EOLE balloons at the 200 mb level in the Southern Hemisphere during the period October 1971-February 1972 is utilized for the computation of planetary- and synoptic-scale kinetic energy space spectra. However, the random distribution of measurements in space and time presents some problems for the spectral analysis. Two different approaches are used, i.e., a harmonic analysis of daily wind values at equi-distant points obtained by space-time interpolation of the data, and a correlation method using the direct measurements. Both methods give similar results for small wavenumbers, but the second is more accurate for higher wavenumbers (k above or equal to 10). The spectra show a maximum at wavenumbers 5 and 6 due to baroclinic instability and then decrease for high wavenumbers up to wavenumber 35 (which is the limit of the analysis), according to the inverse power law k to the negative p, with p close to 3.
Dynamical interpretation of average fission-fragment kinetic energy systematics and nuclear scission
Nadtochy, P.N.; Adeev, G.D.
2005-11-01
A dynamical interpretation of the well-known systematics for average total kinetic energy of fission fragments
On the mean kinetic energy of the proton in strong hydrogen bonded systems
NASA Astrophysics Data System (ADS)
Finkelstein, Y.; Moreh, R.; Shang, S. L.; Shchur, Ya.; Wang, Y.; Liu, Z. K.
2016-02-01
The mean atomic kinetic energies of the proton, Ke(H), and of the deuteron, Ke(D), were calculated in moderate and strongly hydrogen bonded (HB) systems, such as the ferro-electric crystals of the KDP type (XH2PO4, X = K, Cs, Rb, Tl), the DKDP (XD2PO4, X = K, Cs, Rb) type, and the X3H(SO4)2 superprotonic conductors (X = K, Rb). All calculations utilized the simulated partial phonon density of states, deduced from density functional theory based first-principle calculations and from empirical lattice dynamics simulations in which the Coulomb, short range, covalent, and van der Waals interactions were accounted for. The presently calculated Ke(H) values for the two systems were found to be in excellent agreement with published values obtained by deep inelastic neutron scattering measurements carried out using the VESUVIO instrument of the Rutherford Laboratory, UK. The Ke(H) values of the M3H(SO4)2 compounds, in which the hydrogen bonds are centro-symmetric, are much lower than those of the KDP type crystals, in direct consistency with the oxygen-oxygen distance ROO, being a measure of the HB strength.
A nonlinear MEMS electrostatic kinetic energy harvester for human-powered biomedical devices
Lu, Y.; Cottone, F.; Marty, F.; Basset, P.; Galayko, D.
2015-12-21
This article proposes a silicon-based electrostatic kinetic energy harvester with an ultra-wide operating frequency bandwidth from 1 Hz to 160 Hz. This large bandwidth is obtained, thanks to a miniature tungsten ball impacting with a movable proof mass of silicon. The motion of the silicon proof mass is confined by nonlinear elastic stoppers on the fixed part standing against two protrusions of the proof mass. The electrostatic transducer is made of interdigited-combs with a gap-closing variable capacitance that includes vertical electrets obtained by corona discharge. Below 10 Hz, the e-KEH offers 30.6 nJ per mechanical oscillation at 2 g{sub rms}, which makes it suitable for powering biomedical devices from human motion. Above 10 Hz and up to 162 Hz, the harvested power is more than 0.5 μW with a maximum of 4.5 μW at 160 Hz. The highest power of 6.6 μW is obtained without the ball at 432 Hz, in accordance with a power density of 142 μW/cm{sup 3}. We also demonstrate the charging of a 47-μF capacitor to 3.5 V used to power a battery-less wireless temperature sensor node.
NASA Astrophysics Data System (ADS)
Zhang, Yanwei; Xu, Huiping; Qin, Rufu; Xu, Changwei; Fan, Daidu
2016-09-01
The East China Sea (ECS) has a high suspended-sediment concentration because of the influence of the Changjiang River, indicated by high turbidity in the water. Considering the islands offthe coast and the complex topography, and the strong influence of tides and wind, the coast offthe ECS is a typical region with strong oceanic mixing processes. The changes in the dynamic processes near the bottom play an important role in the control of water turbidity. The turbulent kinetic energy dissipation rate ( ɛ ) is a parameter that shows the strength of ocean mixing. This is estimated based on a structure method using current velocity that is measured by a high-frequency Acoustic Doppler Current Profiler (ADCP) from a seafloor observatory in the ECS. The results indicate strong ocean mixing processes with a mean ɛ value of 5.7×10-5 W/kg and distinct tidal variations in the dissipation rate. Conversely, the variation of the water turbidity leads to changes in the water dynamical structure near the bottom. Comparing the dissipation rate with the turbidity near the bottom boundary layer, we find that the high turbidity mimics strong ocean mixing.
NASA Astrophysics Data System (ADS)
Yamada, Noriyuki
2015-08-01
Kinetic energy discrimination (KED) is one of the means to control cell-formed interferences in collision/reaction cell ICP-MS, and also a technique to reduce polyatomic ion interferences derived from the plasma or vacuum interface in collision cell ICP-MS. The operation of KED is accurately described to explain how spectral interferences from polyatomic ions are reduced by this technique. The cell is operated under non-thermal conditions to implement KED, where the hard sphere collision model is aptly employed to portray the transmission of ions colliding with the cell gas that they don't chemically react with. It is theoretically explained that the analyte atomic ions surmount the energy barrier placed downstream of the cell and the interfering polyatomic ions do not due to their lower kinetic energy than the atomic ions, resulting in polyatomic interference reduction. The intrinsic limitations of this technique are shown to lie in the statistical nature of collision processes, which causes the broadening of ion kinetic energy distribution that hinders efficient KED. The reaction cell operation with KED, where plasma-derived interferences are reduced by the reactive cell gas while cell-formed interferences are suppressed by the energy barrier, is also described in a quantitative manner. This review paper provides an in-depth understanding of KED in cell-based ICP-MS for analysts to make better use of it.
NASA Astrophysics Data System (ADS)
Tian, S.; Wygant, J. R.; Cattell, C. A.; Scudder, J. D.; McFadden, J. P.; Mozer, F.; Russell, C. T.
2014-12-01
Polar and FAST conjunction events are selected from Polar cusp crossings in 1997. These conjunction events reveal a common pattern in which Polar observed significant ion kinetic energy flux in the upward direction at mid-altitudes (below 6 Re). Depending on the magnetic activity level, the maximum ion kinetic energy flux is on the order of 10-100 mW/m^2, when mapped to the ionosphere. It is an order of magnitude or more larger than the ion kinetic energy flux observed by FAST in conjunction at altitudes of <1 Re. Therefore, the ion outflows are significantly energized within the mid-latitude cusp. Also shown in the conjunction events is that the downward Poynting flux has enough wave energy to power the ion energization. The observed pattern suggests that the cusp at ionosphere altitudes is not a simple mapping of higher altitude particles. Instead, the mid-latitude cusp receives significant downward Poynting flux from higher altitude due to the solar wind/magnetosphere coupling. Within the mid-altitude cusp, the Poynting flux then supplies energy to power the ionosphere/magnetosphere coupling. Ion outflows are triggered and energized, forming a planetary wind that feeds the magnetosphere with ionospheric ions. During southward IMF, the wind convects anti-sunward and can affect the tail lobe, the nightside auroral region and the nightside plasma sheet.
Zhang, Jun; Heinz, Norah; Dolg, Michael
2014-07-21
The hydration of all trivalent lanthanoid (Ln) ions is studied theoretically from two aspects: energy and wave function. With the help of the incremental scheme, for the first time the lanthanoid(III) aqua complexes are computed at the CCSD(T) level using large basis sets. These computations prove that SCS-MP2 is nearly as accurate as CCSD, thus enabling us to give the most accurate first principle hydration Gibbs free energies and reliable preferred coordination numbers (CNs) of lanthanoid(III) aqua complexes: 9, 8, and both, for light, heavy, and intermediate lanthanoids, respectively. Then a series of wave function analyses were performed to explore the deeper reasons for the preference of specific CNs. An unexpected observation is that as Ln goes from samarium to lutetium, the capping Ln-O bonds in nona-aqua lanthanoid complexes become weaker while they get shorter. Therefore, as the capping Ln-O bonds are getting easier to disrupt, heavier lanthanoids will prefer a low CN, i.e., 8. On the basis of this and previous work of other groups, a model for the water exchange kinetics of lanthanoid(III) ions is proposed. This model suggests that the capping Ln-O bonds of moderate strength, which occur for intermediate lanthanoids, are advantageous for the formation of a bicapped trigonal prism intermediate during water exchange. This explains some NMR experiments and, more importantly, an observation which puzzled investigators for a long time, i.e., that the exchange rate reaches a maximum for the middle region but is low at the beginning and end of the lanthanoid series. This nontrivial behavior of capping Ln-O bonds is interpreted and is believed to determine the hydration behavior of lanthanoid(III) ions.
Von Kármán energy decay and heating of protons and electrons in a kinetic turbulent plasma.
Wu, P; Wan, M; Matthaeus, W H; Shay, M A; Swisdak, M
2013-09-20
Decay in time of undriven weakly collisional kinetic plasma turbulence in systems large compared to the ion kinetic scales is investigated using fully electromagnetic particle-in-cell simulations initiated with transverse flow and magnetic disturbances, constant density, and a strong guide field. The observed energy decay is consistent with the von Kármán hypothesis of similarity decay, in a formulation adapted to magnetohydrodyamics. Kinetic dissipation occurs at small scales, but the overall rate is apparently controlled by large scale dynamics. At small turbulence amplitudes the electrons are preferentially heated. At larger amplitudes proton heating is the dominant effect. In the solar wind and corona the protons are typically hotter, suggesting that these natural systems are in the large amplitude turbulence regime.
Analytic computation of average energy of neutrons inducing fission
Clark, Alexander Rich
2016-08-12
The objective of this report is to describe how I analytically computed the average energy of neutrons that induce fission in the bare BeRP ball. The motivation of this report is to resolve a discrepancy between the average energy computed via the FMULT and F4/FM cards in MCNP6 by comparison to the analytic results.
Huang, Wen-Kai; Zhang, Kai-Wen; Yang, Chao-Long; Ding, Haifeng; Wan, Xiangang; Li, Shao-Chun; Evans, James W; Han, Yong
2016-07-13
Heteroepitaxial structures based on Bi2Te3-type topological insulators (TIs) exhibit exotic quantum phenomena. For optimal characterization of these phenomena, it is desirable to control the interface structure during film growth on such TIs. In this process, adatom mobility is a key factor. We demonstrate that Pb mobility on the Bi2Te3(111) surface can be modified by the engineering local strain, ε, which is induced around the point-like defects intrinsically forming in the Bi2Te3(111) thin film grown on a Si(111)-7 × 7 substrate. Scanning tunneling microscopy observations of Pb adatom and cluster distributions and first-principles density functional theory (DFT) analyses of the adsorption energy and diffusion barrier Ed of Pb adatom on Bi2Te3(111) surface show a significant influence of ε. Surprisingly, Ed reveals a cusp-like dependence on ε due to a bifurcation in the position of the stable adsorption site at the critical tensile strain εc ≈ 0.8%. This constitutes a very different strain-dependence of diffusivity from all previous studies focusing on conventional metal or semiconductor surfaces. Kinetic Monte Carlo simulations of Pb deposition, diffusion, and irreversible aggregation incorporating the DFT results reveal adatom and cluster distributions compatible with our experimental observations.
Baker, R P; Urban, S
2017-01-01
Intramembrane proteases are an ancient and diverse group of multispanning membrane proteins that cleave transmembrane substrates inside the membrane to effect a wide range of biological processes. As proteases, a clear understanding of their function requires kinetic dissection of their catalytic mechanism, but this is difficult to achieve for membrane proteins. Kinetic measurements in detergent systems are complicated by micelle fusion/exchange, which introduces an additional kinetic step and imposes system-specific behaviors (e.g., cooperativity). Conversely, kinetic analysis in proteoliposomes is hindered by premature substrate cleavage during coreconstitution, and lack of methods to quantify proteolysis in membranes in real time. In this chapter, we describe a method for the real-time kinetic analysis of intramembrane proteolysis in model liposomes. Our assay is inducible, because the enzyme is held inactive by low pH during reconstitution, and fluorogenic, since fluorescence emission from the substrate is quenched near lipids but restored upon proteolytic release from the membrane. The precise measurement of initial reaction velocities continuously in real time facilitates accurate steady-state kinetic analysis of intramembrane proteolysis and its inhibition inside the membrane environment. Using real data we describe a step-by-step strategy to implement this assay for essentially any intramembrane protease.
Benke, Stephan; Nettels, Daniel; Hofmann, Hagen; Schuler, Benjamin
2017-03-17
Single-molecule fluorescence spectroscopy is a powerful approach for probing biomolecular structure and dynamics, including protein folding. For the investigation of nonequilibrium kinetics, Förster resonance energy transfer combined with confocal multiparameter detection has proven particularly versatile, owing to the large number of observables and the broad range of accessible timescales, especially in combination with rapid microfluidic mixing. However, a comprehensive kinetic analysis of the resulting time series of transfer efficiency histograms and complementary observables can be challenging owing to the complexity of the data. Here we present and compare three different methods for the analysis of such kinetic data: singular value decomposition, multivariate curve resolution with alternating least square fitting, and model-based peak fitting, where an explicit model of both the transfer efficiency histogram of each species and the kinetic mechanism of the process is employed. While each of these methods has its merits for specific applications, we conclude that model-based peak fitting is most suitable for a quantitative analysis and comparison of kinetic mechanisms.
NASA Astrophysics Data System (ADS)
Benke, Stephan; Nettels, Daniel; Hofmann, Hagen; Schuler, Benjamin
2017-03-01
Single-molecule fluorescence spectroscopy is a powerful approach for probing biomolecular structure and dynamics, including protein folding. For the investigation of nonequilibrium kinetics, Förster resonance energy transfer combined with confocal multiparameter detection has proven particularly versatile, owing to the large number of observables and the broad range of accessible timescales, especially in combination with rapid microfluidic mixing. However, a comprehensive kinetic analysis of the resulting time series of transfer efficiency histograms and complementary observables can be challenging owing to the complexity of the data. Here we present and compare three different methods for the analysis of such kinetic data: singular value decomposition, multivariate curve resolution with alternating least square fitting, and model-based peak fitting, where an explicit model of both the transfer efficiency histogram of each species and the kinetic mechanism of the process is employed. While each of these methods has its merits for specific applications, we conclude that model-based peak fitting is most suitable for a quantitative analysis and comparison of kinetic mechanisms.
Nuclear reactions induced by high-energy alpha particles
NASA Technical Reports Server (NTRS)
Shen, B. S. P.
1974-01-01
Experimental and theoretical studies of nuclear reactions induced by high energy protons and heavier ions are included. Fundamental data needed in the shielding, dosimetry, and radiobiology of high energy particles produced by accelerators were generated, along with data on cosmic ray interaction with matter. The mechanism of high energy nucleon-nucleus reactions is also examined, especially for light target nuclei of mass number comparable to that of biological tissue.
Tang, You-Zhi; Liu, Zai-Qun
2008-11-26
As an abundant ingredient in coffee, chlorogenic acid (CGA) is a well-known antioxidant. Although some works have dealt with its radical-scavenging property, the present work investigated the protective effects of CGA on the oxidation of DNA and on the hemolysis of human erythrocytes induced by 2,2'-azobis(2-amidinopropane hydrochloride) (AAPH) by means of chemical kinetics. The inhibition period (t(inh)) derived from the protective effect of CGA on erythrocyte and DNA was proportional to its concentration, t(inh) = (n/R(i))[CGA], where R(i) refers to the radical-initiation rate, and n indicates the number of radical-propagation chains terminated by CGA. It was found that the n of CGA to protect erythrocytes was 0.77, lower than that of vitamin E (2.0), but higher than that of vitamin C (0.19). Furthermore, CGA facilitated a mutual protective effect with VE and VC on AAPH-induced hemolysis by increasing n of VE and VC. CGA was also found to be a membrane-stabilizer to protect erythrocytes against hemin-induced hemolysis. Moreover, the n of CGA was only 0.41 in the process of protecting DNA. This fact revealed that CGA served as an efficient antioxidant to protect erythrocytes more than to protect DNA. Finally, the reaction between CGA and 2,2'-azinobis(3-ethylbenzothiazoline-6-sulfonate) radical cation (ABTS(+*)) or 2,2'-diphenyl-1-picrylhydrazyl (DPPH) revealed that CGA was able to trap radicals by reducing radicals more than by donating its hydrogen atoms to radicals.
Gibbs, Gerald V.; Cox, David; Crawford, T Daniel; Rosso, Kevin M.; Ross, Nancy; Downs, R. T.
2006-02-28
A classification of the HF bonded interactions comprising a large number of molecules has been proposed by Espinosa et al. [J. Chem. Phys. 117, 5529 (2002)] based on the ratio |V(rc)|/G(rc) where |V(rc)| is the magnitude of the local potential energy density and G(rc) is the local kinetic density evaluated at the bond critical points, rc. A calculation of the ratio for the MO bonded interactions comprising a relatively large number of molecules and earth materials, together with the constraints imposed by the values of Ñ2ρ(rc) and the local electronic energy density H(rc) = G(rc) + V(rc) in the HF study, yielded the same classification for the oxides as found for the fluorides. This is true despite the different trends of the bond critical point and local energy properties with the bond length displayed by the HF and MO bonded interactions. LiO, NaO and MgO bonded interactions classify as closed shell ionic bonds, BeO, AlO, SiO, BO and PO bonded interactions classify as bonds of intermediate character and NO bonded interactions classify as shared covalent bonds. CO and SO bonded interactions classify as both intermediate and covalent bonded interactions. The CO triple bonded interaction classifies as a bond of intermediate character and the CO single bonded interaction classifies as a covalent bond whereas their H(rc) value indicates that they are both covalent bonds. The |V(rc)|/G(rc) ratios for the BeO, AlO and SiO bonded interactions indicate that they have a substantial component of ionic character despite their classification as bonds of intermediate character. The trend between |V(rc)|/G(rc) and the character of the bonded interaction is consistent with trends expected from electronegativity considerations. The connection between the net charges and the experimental SiO bond length evaluated for the Si and O atoms comprising two orthosilicates are examined in terms of the |V(rc)|/G(rc) values.
Hydroxyl radical induced oxidation of theophylline in water: a kinetic and mechanistic study.
Sunil Paul, M M; Aravind, U K; Pramod, G; Saha, A; Aravindakumar, C T
2014-08-14
Oxidative destruction and mineralization of emerging organic pollutants by hydroxyl radicals (˙OH) is a well established area of research. The possibility of generating hazardous by-products in the case of ˙OH reaction demands extensive investigations on the degradation mechanism. A combination of pulse radiolysis and steady state photolysis (H2O2/UV photolysis) followed by high resolution mass spectrometric (HRMS) analysis have been employed to explicate the kinetic and mechanistic features of the destruction of theophylline, a model pharmaceutical compound and an identified pollutant, by ˙OH in the present study. The oxidative destruction of this molecule, for intermediate product studies, was initially achieved by H2O2/UV photolysis. The transient absorption spectrum corresponding to the reaction of ˙OH with theophylline at pH 6, primarily caused by the generation of (T8-OH)˙, was characterised by an absorption band at 330 nm (k2 = (8.22 ± 0.03) × 10(9) dm(3) mol(-1) s(-1)). A significantly different spectrum (λmax: 340 nm) was observed at highly alkaline pH (10.2) due to the deprotonation of this radical (pKa∼ 10.0). Specific one electron oxidants such as sulphate radical anions (SO4˙(-)) and azide radicals (N3˙) produce the deprotonated form (T(-H)˙) of the radical cation (T˙(+)) of theophylline (pKa 3.1) with k2 values of (7.51 ± 0.04) × 10(9) dm(3) mol(-1) s(-1) and (7.61 ± 0.02) × 10(9) dm(3) mol(-1) s(-1) respectively. Conversely, oxide radicals (O˙(-)) react with theophylline via a hydrogen abstraction protocol with a rather slow k2 value of (1.95 ± 0.02) × 10(9) dm(3) mol(-1) s(-1). The transient spectral studies were complemented by the end product profile acquired by HRMS analysis. Various transformation products of theophylline induced by ˙OH were identified by this technique which include derivatives of uric acids (i, iv & v) and xanthines (ii, iii & vi). Further breakdown of the early formed product due to ˙OH attack leads to
NASA Astrophysics Data System (ADS)
Očenášek, J.; Novák, P.; Prušáková, L.
2017-01-01
This study demonstrates that a laser-induced crystallization instrumented with Raman spectroscopy is, in general, an effective tool to study the thermally activated crystallization kinetics. It is shown, for the solid phase crystallization of an amorphous silicon thin film, that the integral intensity of Raman spectra corresponding to the crystalline phase grows linearly in the time-logarithmic scale. A mathematical model, which assumes random nucleation and crystal growth, was designed to simulate the crystallization process in the non-uniform temperature field induced by laser. The model is based on solving the Eikonal equation and the Arhenius temperature dependence of the crystal nucleation and the growth rate. These computer simulations successfully approximate the crystallization process kinetics and suggest that laser-induced crystallization is primarily thermally activated.
Analysis and prediction of integrated kinetic energy in Atlantic tropical cyclones
NASA Astrophysics Data System (ADS)
Kozar, Michael E.
Integrated kinetic energy (IKE) is a recently developed metric that approximates the destructive potential of a tropical cyclone by assessing the size and strength of its wind field. Despite the potential usefulness of the IKE metric, there are few, if any, operational tools that are specifically designed to forecast IKE in real-time. Therefore, IKE and tropical cyclone structure are analyzed within historical Atlantic tropical cyclones from the past two decades in order to develop an understanding of the environmental and internal storm-driven processes that govern IKE variability. This analysis concurs with past research that IKE growth and decay is influenced by both traditional tropical cyclone development mechanisms and by other features such as extratropical transition and trough interactions. Using this framework, a series of statistical prediction tools are created in an effort to project IKE in Atlantic tropical cyclones from a series of relevant normalized input parameters. The resulting IKE prediction schemes are titled the "Statistical Prediction of Integrated Kinetic Energy (SPIKE)". The first version of SPIKE utilizes simple linear regression to project historical IKE quantities in a perfect prognostic mode for all storms between 1990 and 2011. This primitive model acts as a proof of concept, revealing that IKE can be skillfully forecasted relative to persistence out to 72 hours by even the simplest of statistical models if given accurate estimates of various metrics measured throughout the storm and its environment. The proof-of-concept version of SPIKE is improved upon in its second version, SPIKE2, by incorporating a more sophisticated system of adaptive statistical models. A system of artificial neural networks replaces the linear regression model to better capture the nonlinear relationships in the TC-environment system. In a perfect prognostic approach with analyzed input parameters, the neural networks outperform the linear models in nearly
Surface kinetics of a nonlinear oxygen-induced (1×5)-->(1×1) phase transition on Ir{100}
NASA Astrophysics Data System (ADS)
Ali, T.; Klötzer, B.; Walker, A. V.; Ge, Q.; King, D. A.
1998-12-01
The interaction of oxygen with the stable Ir{100}-(1×5) and the metastable (1×1) surfaces has been studied using supersonic molecular beams in the surface temperature range 200-1080 K. Starting from the clean (1×5) substrate, the adsorption kinetics are dominated by the adsorbate-induced lifting of the reconstruction. The formation of (1×1) islands occurs between two limiting oxygen surface coverages, as confirmed by helium scattering and low-energy electron diffraction (LEED) measurements. Two distinct temperature regimes are observed in the sticking probability measurements; between 350 and 600 K the local oxygen coverage on the (1×1) phase is about 0.28 monolayers (ML) during the prevailing phase transformation, whereas it is 0.20 ML in the temperature range 700-900 K. This "biphasic" behavior is explained by the enhancement of surface diffusion of adsorbed oxygen atoms at sample temperatures above 650 K and has been investigated further using thermal energy atom scattering (TEAS). In contrast to the (1×5) phase, TEAS measurements show that random adsorption of O2 takes place on the clean metastable (1×1) surface. At 1080 K a pronounced flux dependence of the sticking probability is observed due to a nonlinear growth law for the formation of (1×1) islands, r=c(θO1×5)4.5. Thermal desorption measurements accompanied by LEED show that the desorption rate is strongly influenced by the (1×1) to (1×5) surface phase transition; repulsive lateral interactions exist between adsorbed oxygen atoms on the (1×1) substrate. We present a mathematical model which takes these effects into account in reproducing the salient features of the temperature programmed desorption (TPD) spectra. Sticking probability, TEAS, and TPD data are all consistent with a defect concentration of 0.03 ML on the clean (1×5) surface annealed at 1400 K.
DEAP-based energy harvesting using vortex-induced vibrations
NASA Astrophysics Data System (ADS)
Hoffstadt, Thorben; Heinze, Robert; Wahl, Tim; Kameier, Frank; Maas, Jürgen
2014-03-01
Generators based on dielectric electroactive polymers (DEAP) convert mechanical strain energy into electrical field energy. In order to harvest renewable energy from ambient sources adequate generator setups have to be developed. Thus, in this contribution a DEAP generator is presented which uses periodic vortex induced vibration of a circular cylinder as excitation mechanism, by which e.g. Flow energy of a wind or water current can be converted. For this purpose a novel generator design consisting of a cylinder that is elastically mounted on DEAP material is presented. Since the effect of vortex induced vibrations depends on the stiffness and damping of the utilized generator's eigenmode, a method to adapt both via the electrostatic pressure and energy conversion is proposed. After the validation of the general functionality of the novel generator design, analyses concerning the control of the overall harvester are carried out.
Age-related changes in intraventricular kinetic energy: a physiological or pathological adaptation?
Wong, James; Chabiniok, Radomir; deVecchi, Adelaide; Dedieu, Nathalie; Sammut, Eva; Schaeffter, Tobias
2016-01-01
Aging has important deleterious effects on the cardiovascular system. We sought to compare intraventricular kinetic energy (KE) in healthy subjects of varying ages with subjects with ventricular dysfunction to understand if changes in energetic momentum may predispose individuals to heart failure. Four-dimensional flow MRI was acquired in 35 healthy subjects (age: 1–67 yr) and 10 patients with left ventricular (LV) dysfunction (age: 28–79 yr). Healthy subjects were divided into age quartiles (1st quartile: <16 yr, 2nd quartile: 17–32 yr, 3rd quartile: 33–48 yr, and 4th quartile: 49–64 yr). KE was measured in the LV throughout the cardiac cycle and indexed to ventricular volume. In healthy subjects, two large peaks corresponding to systole and early diastole occurred during the cardiac cycle. A third smaller peak was seen during late diastole in eight adults. Systolic KE (P = 0.182) and ejection fraction (P = 0.921) were preserved through all age groups. Older adults showed a lower early peak diastolic KE compared with children (P < 0.0001) and young adults (P = 0.025). Subjects with LV dysfunction had reduced ejection fraction (P < 0.001) and compared with older healthy adults exhibited a similar early peak diastolic KE (P = 0.142) but with the addition of an elevated KE in diastasis (P = 0.029). In healthy individuals, peak diastolic KE progressively decreases with age, whereas systolic peaks remain constant. Peak diastolic KE in the oldest subjects is comparable to those with LV dysfunction. Unique age-related changes in ventricular diastolic energetics might be physiological or herald subclinical pathology. PMID:26747496
Buoyant Turbulent Kinetic Energy Production in Steep-Slope Katabatic Flow
NASA Astrophysics Data System (ADS)
Oldroyd, Holly J.; Pardyjak, Eric R.; Higgins, Chad W.; Parlange, Marc B.
2016-12-01
We develop several critical concepts that should be considered when interpreting, modelling and designing future experiments for flows over sloping terrain. Vertical buoyancy fluxes in katabatic flows can be positive and a source of turbulent kinetic energy (TKE) despite the statically stable, thermal stratification that drives these flows. This phenomenon occurs when the ratio of along-slope to slope-normal kinematic heat fluxes is greater than the cotangent of the slope angle, suggesting a critical value of slope-angle steepness found in earlier studies. We provide field-data-based evidence that the along-slope heat flux may dominate the variables in this inequality, and therefore in generating buoyant TKE production or suppression over a steep slope. These data show the along-slope heat flux can be more variable and significantly larger in magnitude than the slope-normal component. The gradient Richardson number does not include the effects of the along-slope buoyancy; furthermore, none of the canonical stability parameters can properly reflect the TKE redistribution from turbulent transport divergence and the sink of TKE in cases of counter-gradient momentum fluxes, which we frequently observe near the peak of the katabatic jet. In such cases, canonical stability parameters inadequately represent the physical mechanisms associated with stability. These results have broad implications related to accurately modelling turbulence and surface exchanges over sloping terrain and illustrate the need to more thoroughly investigate the along-slope heat flux and its drivers, the meaning and definitions of stability, and the effects of non-local turbulent transport.
NASA Astrophysics Data System (ADS)
Mehrabadi, Mohammad; Subramaniam, Shankar
2017-02-01
Most gas-solid flows encountered in nature and industrial applications are polydisperse, and the segregation or mixing of particle classes in polydisperse gas-solid flows is a phenomenon of great practical importance. A statistically homogeneous gas-solid flow with a bidisperse distribution (in size or density) of particles is a canonical representation of polydisperse flows. A key feature that distinguishes the bidisperse flow from its monodisperse counterpart is the exchange of momentum and kinetic energy between the particle classes due to collisions, which are important for applications outside the very dilute regime. The average exchange of linear momentum between particle classes due to collisions occurs through the particle-particle drag term. The conservation equations for average momentum corresponding to each particle class can be used to deduce the average slip velocity between the particle size and density classes, which is the signature of particle segregation. In this canonical problem, the steady value of particle mean slip velocity results from a balance between three terms, each in turn involving the body force or the mean fluid pressure gradient, the gas-particle drag, and the particle-particle drag. The particle-particle drag depends on the particle velocity fluctuations in each class [Louge, M. Y. et al., "The role of particle collisions in pneumatic transport," J. Fluid Mech. 231, 345-359 (1991)], thereby coupling the mean and second-moment equations. For monodisperse gas-solid flows the transfer of kinetic energy from the mean to second-moment equations was explained by Subramaniam and co-workers who proposed the conservation of interphase turbulent kinetic energy transfer principle [Xu, Y. and Subramaniam, S., "Consistent modeling of interphase turbulent kinetic energy transfer in particle-laden turbulent flows," Phys. Fluids 19(8), 085101 (2007)], and this was subsequently verified by particle-resolved direct numerical simulation [Mehrabadi
Cross, Jon B.; Cremers, David A.
1988-01-01
Laser sustained discharge apparatus for the production of intense beams of high kinetic energy atomic species. A portion of the plasma resulting from a laser sustained continuous optical discharge which generates energetic atomic species from a gaseous source thereof is expanded through a nozzle into a region of low pressure. The expanded plasma contains a significant concentration of the high kinetic energy atomic species which may be used to investigate the interaction of surfaces therewith. In particular, O-atoms having velocities in excess of 3.5 km/s can be generated for the purpose of studying their interaction with materials in order to develop protective materials for spacecraft which are exposed to such energetic O-atoms during operation in low earth orbit.
Ogi, Soichiro; Fukui, Tomoya; Jue, Melinda L; Takeuchi, Masayuki; Sugiyasu, Kazunori
2014-12-22
Far-from-equilibrium thermodynamic systems that are established as a consequence of coupled equilibria are the origin of the complex behavior of biological systems. Therefore, research in supramolecular chemistry has recently been shifting emphasis from a thermodynamic standpoint to a kinetic one; however, control over the complex kinetic processes is still in its infancy. Herein, we report our attempt to control the time evolution of supramolecular assembly in a process in which the supramolecular assembly transforms from a J-aggregate to an H-aggregate over time. The transformation proceeds through a delicate interplay of these two aggregation pathways. We have succeeded in modulating the energy landscape of the respective aggregates by a rational molecular design. On the basis of this understanding of the energy landscape, programming of the time evolution was achieved through adjusting the balance between the coupled equilibria.
NASA Astrophysics Data System (ADS)
Ludeña, Eduardo V.; López-Boada, Roberto; Maldonado, Jorge; Koga, Toshikatsu; Kryachko, Eugene S.
1993-09-01
The kinetic-energy difference ΔT=T-Ts[ρ0] is calculated for the helium isoelectronic series and for the beryllium atom. Ts[ρ0] is in this case the kinetic energy corresponding to a noninteracting N-particle system which, however, has the same density ρ0 as the exact interacting system. These densities ρ0 were assumed in the present case to be well represented by those coming from the optimal Hylleraas-type expansions for the He isoelectronic series and by the Bunge-Esquivel 650-term configuration-interaction wave function for Be. The calculations are carried out by means of a constrained variational method based on local-scaling transformations. The connection between this approach and the one based on the Kohn-Sham equations is discussed.
Coutinho, Nayara D; Silva, Valter H C; de Oliveira, Heibbe C B; Camargo, Ademir J; Mundim, Kleber C; Aquilanti, Vincenzo
2015-05-07
The OH + HBr → H2O + Br reaction, prototypical of halogen-atom liberating processes relevant to mechanisms for atmospheric ozone destruction, attracted frequent attention of experimental chemical kinetics: the nature of the unusual reactivity drop from low to high temperatures eluded a variety of theoretical efforts, ranking this one among the most studied four-atom reactions. Here, inspired by oriented molecular-beams experiments, we develop a first-principles stereodynamical approach. Thermalized sets of trajectories, evolving on a multidimensional potential energy surface quantum mechanically generated on-the-fly, provide a map of most visited regions at each temperature. Visualizations of rearrangements of bonds along trajectories and of the role of specific angles of reactants' mutual approach elucidate the mechanistic change from the low kinetic energy regime (where incident reactants reorient to find the propitious alignment leading to reaction) to high temperature (where speed hinders adjustment of directionality and roaming delays reactivity).
Smędra-Kaźmirska, Anna; Barzdo, Maciej; Kędzierski, Maciej; Antoszczyk, Łukasz; Szram, Stefan; Berent, Jarosław
2013-09-01
Pursuant to the Polish Weapons and Ammunitions Law (Legal Gazette No 53/1999 item 549 with subsequent amendments), air guns with kinetic energy of the fired projectiles below 17 J are not regarded as weapons. The aim of the study was to assess the potential effect of shots caused by projectiles of various mass and structure fired from air guns with kinetic energy below 17 J on human soft tissues. As a model of soft tissue, we used 20% gelatin blocks. After shooting, we measured the depth of gelatin block penetration by pellets fired from various distances and compared these results with autopsy findings. The results demonstrated that examined pneumatic guns may cause serious injuries, including damage to the pleura, pericardium, liver, spleen, kidneys, femoral artery, and thoracic and abdominal aorta. Experiment shown that gelatin blocks do not reflect fully the properties of the human body.
NASA Astrophysics Data System (ADS)
Kopp, Wassja A.; Leonhard, Kai
2016-12-01
We show how inverse metric tensors and rovibrational kinetic energy operators in terms of internal bond-angle coordinates can be obtained analytically following a factorization of the Jacobian worked out by Frederick and Woywod. The structure of these Jacobians is exploited in two ways: On one hand, the elements of the metric tensor as well as its determinant all have the form ∑rmsin (αn) cos (βo) . This form can be preserved by working with the adjugate metric tensor that can be obtained without divisions. On the other hand, the adjugate can be obtained with less effort by exploiting the lower triangular structure of the Jacobians. Together with a suitable choice of the wavefunction, we avoid singularities and show how to obtain analytical expressions for the rovibrational kinetic energy matrix elements.
NASA Astrophysics Data System (ADS)
Nanko, Kazuki; Onda, Yuichi; Ito, Akane; Moriwaki, Hiromu
2008-03-01
To investigate how canopy thickness and canopy saturation affect the amount and kinetic energy of throughfall, we conducted indoor experiments using a 9.8-m-tall transplanted Japanese cypress (Chamaecyparis obtusa) and a large-scale rainfall simulator with spray nozzles at a height of 16 m. The amount of throughfall and raindrop sizes and velocities were measured at twenty-four points under four canopy structures generated by staged branch pruning. Decreasing the canopy thickness resulted in increases of the initial throughfall amount, volume proportion of large throughfall drops, the number of drops with high velocities, and throughfall kinetic energy. Compared to a saturated canopy, a canopy undergoing wetting had lower throughfall amounts and volume proportion of large drops, but higher mean drop velocity. Canopy thickness affected throughfall generation by affecting the processes of canopy saturation and drop generation within the canopy.
Cross, J.B.; Cremers, D.A.
1986-01-10
Laser sustained discharge apparatus for the production of intense beams of high kinetic energy atomic species is described. A portion of the plasma resulting from a laser sustained continuous optical discharge which generates energetic atomic species from a gaseous source thereof is expanded through a nozzle into a region of low pressure. The expanded plasma contains a significant concentration of the high kinetic energy atomic species which may be used to investigate the interaction of surfaces therewith. In particular, O-atoms having velocities in excess of 3.5 km/s can be generated for the purpose of studying their interaction with materials in order to develop protective materials for spacecraft which are exposed to such energetic O-atoms during operation in low earth orbit.
NASA Astrophysics Data System (ADS)
Hieke, Anne-Sophie Charlotte; Pillai, Suresh D.
2015-05-01
The effect of attenuating the energy of a 10 MeV electron beam on Salmonella inactivation kinetics was investigated. No statistically significant differences were observed between the D10 values of either Salmonella 4,[5],12:i:- or a Salmonella cocktail (S. 4,[5],12:i:-, Salmonella Heidelberg, Salmonella Newport, Salmonella Typhimurium, Salmonella) when irradiated with either a non-attenuated 10 MeV eBeam or an attenuated 10 MeV eBeam (~2.9±0.22 MeV). The results show that attenuating the energy of a 10 MeV eBeam to achieve low doses does not affect the inactivation kinetics of Salmonella spp. when compared to direct 10 MeV eBeam irradiation.
NASA Astrophysics Data System (ADS)
Glossman, M. D.; Balbás, L. C.; Alonso, J. A.
1995-07-01
The radial electron density obtained for all the atoms of the main groups of the Periodic Table through the solution of the Euler equation associated with the nonlocal weighted density approximation (WDA) for the exchange and kinetic energy density functionals shows an incipient shell structure which is absent in other calculations using kinetic energy functionals based on the electronic density. The WDA radial density reveals two local maxima and the position of the first maximum correlates with the position of the maximum for the 1s orbital in the Hartree-Fock approximation. The cusp condition at the nucleus is fulfilled accurately. Also we study the density-based electron localization function (DELF) as a complementary procedure for the visualization of shells.
Gold, Kenneth; Cheng, Yung Sung; Holmes, Thomas D
2007-04-01
These tests were conducted to develop a database that could be used to assess risks to soldiers from exposure to aerosolized metallic particulates when the crew compartment of an Abrams tank is perforated by a kinetic energy penetrator. Quantitative data are reported for aerosols produced by kinetic energy penetrators containing tungsten, nickel, and cobalt. The following are addressed: (1) concentrations and rates of particle settling inside the vehicle, (2) particle size distribution, (3) inhalable and respirable particulates, (4) distribution of aerosol particles by mass, and (5) particle shapes. The scenario described in this report simulates a rare occurrence. The lessons learned, however, highlight a requirement for developing protocols for analyses of metals in body fluids and urine as soon as practical, and also for implementing targeted postdeployment medical surveillance programs that monitor both body burden for respired metals and pulmonary function.
NASA Astrophysics Data System (ADS)
Kinoshita, Takenari; Murayama, Yasuhiro; Kawamura, Seiji
2015-07-01
The interactions between gravity waves and atmospheric tidal waves have been observationally studied, although the phase relation between them has not been fully understood. In this study, the long-term wind velocity data observed with the Poker Flat MF radar (65°N, 147°W) were analyzed for the period of 1999-2008 to show local time dependence and seasonal climatologies of the 12 h and 24 h components in the mesospheric winds and their modulations of gravity wave kinetic energy. We made climatological 1 day composite plots of the kinetic energy of gravity waves for wave periods of 1-4 h and harmonic components of horizontal wind for each month. The results show that the kinetic energy of gravity waves peaks twice at 3-6 LT and 18-21 LT, which tend to coincide with the transition of the 12 h component of zonal wind from westward to eastward flow. On the other hand, a 2 month case study revealed that the gravity wave kinetic energy and the 12 h components of zonal wind appear to keep their phase difference constant (like a "phase locked") for more than 10 days. Events of this kind are also found in other years. To examine whether this relation can be explained by interaction between the 12 h component of zonal wind and gravity waves, we applied a gravity wave drag model to the background state defined as the sum of observed monthly mean and harmonic components of zonal wind. It is suggested that the orographic gravity wave drag has a 12 h periodicity and that the time of the drag enhancement changes in time following change in the phase of harmonic components of winds.
Kinetic study on the H + SiH4 abstraction reaction using an ab initio potential energy surface.
Cao, Jianwei; Zhang, Zhijun; Zhang, Chunfang; Bian, Wensheng; Guo, Yin
2011-01-14
Variational transition state theory calculations with the correction of multidimensional tunneling are performed on a 12-dimensional ab initio potential energy surface for the H + SiH(4) abstraction reaction. The surface is constructed using a dual-level strategy. For the temperature range 200-1600 K, thermal rate constants are calculated and kinetic isotope effects for various isotopic species of the title reaction are investigated. The results are in very good agreement with available experimental data.
Espinosa-García, J; Bravo, J L; Rangel, C
2007-04-12
A new potential energy surface for the gas-phase F(2P)+CH4 reaction and its deuterated analogues is reported, and its kinetics and dynamics are studied exhaustively. This semiempirical surface is completely symmetric with respect to the permutation of the four methane hydrogen atoms, and it is calibrated to reproduce the topology of the reaction and the experimental thermal rate constants. For the kinetics, the thermal rate constants were calculated using variational transition-state theory with semiclassical transmission coefficients over a wide temperature range, 180-500 K. The theoretical results reproduce the experimental variation with temperature. The influence of the tunneling factor is negligible, due to the flattening of the surface in the entrance valley, and we found a direct dependence on temperature, and therefore positive and small activation energies, in agreement with experiment. Two sets of kinetic isotope effects were calculated, and they show good agreement with the sparse experimental data. The coupling between the reaction coordinate and the vibrational modes shows qualitatively that the FH stretching and the CH3 umbrella bending modes in the products appear vibrationally excited. The dynamics study was performed using quasi-classical trajectory calculations, including corrections to avoid zero-point energy leakage along the trajectories. First, we found that the FH(nu',j') rovibrational distributions agree with experiment. Second, the excitation function presents an oscillatory pattern, reminiscent of a reactive resonance. Third, the state specific scattering distributions present reasonable agreement with experiment, and as the FH(nu') vibrational state increases the scattering angle becomes more forward. These kinetics and dynamics results seem to indicate that a single, adiabatic potential energy surface is adequate to describe this reaction, and the reasonable agreement with experiment (always qualitative and sometimes quantitative) lends
The evolution of clinical gait analysis part III--kinetics and energy assessment.
Sutherland, D H
2005-06-01
Historically, clinical applications of measurements of force and energy followed electromyography and kinematics in temporal sequence. This sequence is mirrored by the order of topics included in this trilogy on the Evolution of Clinical Gait Analysis, with part I [Sutherland DH. The evolution of clinical gait analysis part I: kinesiological EMG. Gait Posture 2001;14:61-70.] devoted to Kinesiological EMG and part II [Sutherland DH. The evolution of clinical gait analysis part II - kinematics. Gait Posture 2002;16(2):159-179.] to Kinematics. This final review in the series will focus on kinetics as it relates to gait applications. Kinematic measurements give the movements of the body segments, which can be compared with normal controls to identify pathological gait patterns, but they do not deal with the forces controlling the movements. As a major goal of scientifically minded clinicians is to understand the biomechanical forces producing movements, the objective measurement of ground reaction forces is essential. The force plate (platform) is now an indispensable tool in a state-of-the-art motion analysis laboratory. Nonetheless, it is not a stand-alone instrument as both kinematic and EMG measurements are needed for maximum clinical implementation and interpretation of force plate measurements. The subject of energy assessment is also given mention, as there is a compelling interest in whether walking has been made easier with intervention. The goals of this manuscript are to provide a historical background, recognize some of the important contributors, and describe the current multiple uses of the force plate in gait analysis. The widespread use of force plates for postural analyses is an important and more recent application of this technology, but this review will be restricted to measurements of gait rather than balance activities. Finally, this manuscript presents my personal perspective and discusses the developments and contributors that have shaped my
Kinetics of micronuclei induced by [sup 125]IdU in cells of two lines
Ludwikow, G.; Johanson, K.J. ); Ludwikow, F. )
1994-04-01
The kinetics of the formation of cells carrying micronuclei (MN) after one doubling time (t[sub d] incorporation of [sup 125]I-iodo-deoxyuridine ([sup 125]IdU) to Chinese hamster ovary (CHO) and rat anterior pituitary tumor (GC) cells was studied. Uptake of anterior pituitary tumor (GC) cells was studied. Uptake of [sup 125]IdU by cells of both cell lines was linearly dependent on the concentration of extracellular [sup 125]I activity. The postlabeling time-dependent decrease in cellular activity of [sup 125]IdU was exponential in CHO cells and approximately linear in GC cells. The maximum yield of MN was seen during the second and third t[sub d] after [sup 125]I decays cell[sup [minus]1] t[sub d][sup [minus]1]. The dose-response relationship could be fitted by straight lines with slopes of 1.0 (CHO) and 1.2 (GC) on the subinterval (1, 10) and of 0.6 or 0.5, respectively, for the subinterval (10, 40). Below one [sup 125]I decay cell[sup [minus]1] t[sub d][sup [minus]1], the mean frequency of micronucleated binuclear cells was significantly lower than (CHO) or equal to GC) the control. On average, one [sup 125]I decay/cell induced 0.95 [+-] 0.5% (CHO) or 1.0 [+-] 0.5% (GC) of micronucleated binuclear cells. 30 refs., 5 figs.
On flow induced kinetic diffusion and rotary kiln bed burden heat transport
Boateng, A.A.
1997-07-01
The cross-section of a partially-filled cylindrical kiln rotating on its horizontal axis and processing granular solids produces a shear zone (active layer) at the free surface which grows with the kiln's rotational rate. The active layer, although relatively thin, compared with the rest of the bed burden, drives all physical/chemical reactions. This is because of the high rate of surface renewal which, in turn, promotes heat exchange between the exposed surface and the higher temperature freeboard gas. Unlike packed beds, particulate diffusion induced by the flow of granules, adds a significant component to the overall heat transfer in the bed. Problem formulation and modeling of heat conduction using flow fields derived from experiments suggest that at slow kiln speeds the diffusion effect may not be recognized due to long term duration of particle contacts and hence packed-bed heat conduction models may provide adequate characterization. However, at moderate and high kiln speeds particle collisions are short-termed and kinetic diffusion contributes to the effective thermal conductivity by as much as tenfold thereby resulting in a well-mixed conditions and a homogeneous bed temperature. Industrial processing ramifications such as kiln speed control and product quality are discussed hereafter.
Kinetics of Detergent-Induced Activation and Inhibition of a Minimal Lipase.
Kübler, Daniel; Bergmann, Anna; Weger, Lukas; Ingenbosch, Kim N; Hoffmann-Jacobsen, Kerstin
2017-02-16
Detergents are commonly applied in lipase assays to solubilize sparingly soluble model substrates. However, detergents affect lipases as well as substrates in multiple ways. The effect of detergents on lipase activity is commonly attributed to conformational changes in the lid region. This study deals with the effect of the nonionic detergent, poly(ethylene glycol) dodecyl ether, on a lipase that does not contain a lid sequence, lipase A from Bacillus subtilis (BSLA). We show that BSLA activity depends strongly on the detergent concentration and the dependency profile changes with pH. The interaction of BSLA with detergent monomers and micelles is studied using fluorescence correlation spectroscopy, time-resolved anisotropy decay, and temperature-induced unfolding. Detergent-dependent hydrolysis kinetics of two different substrates at two pH values are fitted with a microkinetic model. This analysis shows that the mechanism of interfacial lipase catalysis is strongly affected by the detergent. It reveals an activation mechanism by monomeric detergent that does not result from structural changes of the lipase. Instead, we propose that interfacial diffusion of the lipase is enhanced by detergent binding.
NMR of α-synuclein–polyamine complexes elucidates the mechanism and kinetics of induced aggregation
Fernández, Claudio O; Hoyer, Wolfgang; Zweckstetter, Markus; Jares-Erijman, Elizabeth A; Subramaniam, Vinod; Griesinger, Christian; Jovin, Thomas M
2004-01-01
The aggregation of α-synuclein is characteristic of Parkinson's disease (PD) and other neurodegenerative synucleinopathies. The 140-aa protein is natively unstructured; thus, ligands binding to the monomeric form are of therapeutic interest. Biogenic polyamines promote the aggregation of α-synuclein and may constitute endogenous agents modulating the pathogenesis of PD. We characterized the complexes of natural and synthetic polyamines with α-synuclein by NMR and assigned the binding site to C-terminal residues 109–140. Dissociation constants were derived from chemical shift perturbations. Greater polyamine charge (+2 → +5) correlated with increased affinity and enhancement of fibrillation, for which we propose a simple kinetic mechanism involving a dimeric nucleation center. According to the analysis, polyamines increase the extent of nucleation by ∼104 and the rate of monomer addition ∼40-fold. Significant secondary structure is not induced in monomeric α-synuclein by polyamines at 15°C. Instead, NMR reveals changes in a region (aa 22–93) far removed from the polyamine binding site and presumed to adopt the β-sheet conformation characteristic of fibrillar α-synuclein. We conclude that the C-terminal domain acts as a regulator of α-synuclein aggregation. PMID:15103328
NASA Astrophysics Data System (ADS)
Dubrovskii, V. G.; Hervieu, Yu. Yu.
2014-09-01
In this work, we present a theoretical analysis of the diffusion-induced growth of "vapor-liquid-solid" nanowires, based on the stationary equations with generalized boundary conditions. We discuss why and how the earlier results are modified when the adatom chemical potential is discontinuous at the nanowire base. Several simplified models for the adatom diffusion flux are discussed, yielding the 1 /Rp radius dependence of the length, with p ranging from 0.5 to 2. The self-consistent approach is used to couple the diffusion transport with the kinetics of 2D nucleation under the droplet. This leads to a new growth equation that contains only two dimensional parameters and the power exponents p and q, where q=1 or 2 depends on the nucleus position. We show that this equation describes the size-dependent depression of the growth rate of narrow nanowires much better than the Gibbs-Thomson correction in several important cases. Overall, our equation fits very well the experimental data on the length-radius correlations of III-V and group IV nanowires obtained by different epitaxy techniques.
Cell kinetics of repair after allyl alcohol-induced liver necrosis in mice.
Lee, J H; Ilic, Z; Sell, S
1996-04-01
The cellular kinetics of repair and scarring which occurs after induction of periportal necrosis in mice by allyl alcohol were examined by histology and immunohistochemistry. Thirty-six six-week-old female C57BI/6J mice were injected intraperitoneally with two doses of allyl alcohol on day 0 and tissue sections were taken at various times and stained by haematoxylin and eosin or immunostained for proliferating cell nuclear antigen (PCNA), bile duct/oval cell marker A-6, and DNA fragments (apoptosis). Within 6 hours, periportal necrosis was seen extending to produce large zones of confluent, pan-acinar irregular necrosis, predominantly in the right and medial lobes with sparing of the left and caudate lobes. Restoration of liver mass was accomplished mainly by proliferation of mature hepatocytes in the surviving lobes of the liver (hyperplasia). In the right and medial lobes where necrosis was limited to the periportal zone, there was some, but much less, proliferation of small, oval periportal cells. The large necrotic zones in the right and median lobes shrank and were replaced by granulomatous inflammation. This cellular contribution of liver regeneration in the mouse was different from that previously reported in the rat and provides a means of inducing only a small proliferation of oval cells.
Kovács, Krisztina; Mile, Viktoria; Csay, Tamás; Takács, Erzsébet; Wojnárovits, László
2014-11-01
Radiolytic reactions of phenylureas were studied in detail with fenuron model compound in dilute aqueous solutions using pulse radiolysis for detection of the intermediates, gamma radiolysis with UV-Vis and HPLC-MS techniques for analysis of the final products. The kinetics of oxidation was followed by COD, TOC and toxicity measurements. During radiolysis of aerated solutions hydroxyl radical ((•)OH), eaq (-), H(•) and O2 (•-)/HO2 (•) reactive intermediates are produced, the degradation of solute takes place practically entirely through (•)OH reactions. Therefore, the product distribution is similar to the distributions reported in other advanced oxidation processes with (•)OH as main reactant. (•)OH mainly reacts with the aromatic ring, forming cyclohexadienyl radical as an intermediate. This radical in pulse radiolysis has a wide absorption band in the 310-390 nm wavelength range with a maximum at 350 nm. Cyclohexadienyl radical reacts with dissolved O2 with a rate coefficient of ∼ 4 × 10(8) mol(-1) dm(3) s(-1) forming peroxy radical. The latter may eliminate HO2 (•) giving phenols or undergoes fragmentation. The one-electron oxidant (•)OH on average induces more than two-electron oxidations. The toxicity first increases with absorbed dose, then decreases. This increase is partly due to phenols formed during the first degradation period.
Andreani, Carla; Romanelli, Giovanni; Senesi, Roberto
2016-06-16
This study presents the first direct and quantitative measurement of the nuclear momentum distribution anisotropy and the quantum kinetic energy tensor in stable and metastable (supercooled) water near its triple point, using deep inelastic neutron scattering (DINS). From the experimental spectra, accurate line shapes of the hydrogen momentum distributions are derived using an anisotropic Gaussian and a model-independent framework. The experimental results, benchmarked with those obtained for the solid phase, provide the state of the art directional values of the hydrogen mean kinetic energy in metastable water. The determinations of the direction kinetic energies in the supercooled phase, provide accurate and quantitative measurements of these dynamical observables in metastable and stable phases, that is, key insight in the physical mechanisms of the hydrogen quantum state in both disordered and polycrystalline systems. The remarkable findings of this study establish novel insight into further expand the capacity and accuracy of DINS investigations of the nuclear quantum effects in water and represent reference experimental values for theoretical investigations.
Borgoo, Alex; Teale, Andrew M; Tozer, David J
2012-01-21
Correlated electron densities, experimental ionisation potentials, and experimental electron affinities are used to investigate the homogeneity of the exchange-correlation and non-interacting kinetic energy functionals of Kohn-Sham density functional theory under density scaling. Results are presented for atoms and small molecules, paying attention to the influence of the integer discontinuity and the choice of the electron affinity. For the exchange-correlation functional, effective homogeneities are highly system-dependent on either side of the integer discontinuity. By contrast, the average homogeneity-associated with the potential that averages over the discontinuity-is generally close to 4/3 when the discontinuity is computed using positive affinities for systems that do bind an excess electron and negative affinities for those that do not. The proximity to 4/3 becomes increasingly pronounced with increasing atomic number. Evaluating the discontinuity using a zero affinity in systems that do not bind an excess electron instead leads to effective homogeneities on the electron abundant side that are close to 4/3. For the non-interacting kinetic energy functional, the effective homogeneities are less system-dependent and the effect of the integer discontinuity is less pronounced. Average values are uniformly below 5/3. The study provides information that may aid the development of improved exchange-correlation and non-interacting kinetic energy functionals.
NASA Astrophysics Data System (ADS)
Verhulst, Claire; Meneveau, Charles
2015-11-01
Vertical entrainment of mean kinetic energy is believed to be a limiting factor for power generation in very large wind farms, which operate in the turbulent atmospheric boundary layer and experience detrimental wake effects. A new approach, meant to increase vertical entrainment and aid wake recovery, is proposed and evaluated with a preliminary ``proof of concept'' test using Large Eddy Simulation (LES) with periodic boundary conditions to obtain realistic fully developed flow. In addition to the traditional actuator thrust force, a synthetic vertical force is applied at the turbine rotors to force high-speed flow downward and low-speed flow upward. The ratio of the vertical force and the thrust force, held constant within each case, ranges from 0 to 1 across six cases and is applied independently at each turbine. The proposed approach is found to increase the power extraction and mean kinetic energy entrainment significantly, by up to 95% when the vertical force is similar in magnitude to the thrust force. The effect of the forcing scheme on the mean velocity field is considered in detail. In addition, a quadrant analysis is performed to determine how the synthetic forcing changes the statistical characteristics of the mean kinetic energy entrainment within the wind farm. This work was supported by NSF grant 1243482 (the WINDINSPIRE project).
NASA Astrophysics Data System (ADS)
Banerjee, A.; Coplan, M. A.
2009-12-01
We analyze solar wind and interplanetary magnetic field data to study scaling properties of kinetic and magnetic energy density as a function of solar cycle and distance from the sun. In his original theory on turbulence, Kolmogorov predicted that in the inertial range the fluctuations in velocity differences should be self-similar. Analysis of solar wind data showed this not to be the case. On the other hand B. Hnat et.al.(Geophys. Res. Lett., 29 (10), 1446, 2002) and J.J Podesta (J. Geophys. Res., 111, A09105, 2006) showed that fluctuations in kinetic and magnetic energy density are approximately self-similar. We extend this analysis using data from the SWE and MFI experiments on the WIND spacecraft (at 1AU) during solar minimum (2006) and solar maximum (2001) and VHM/FGM experiment on the Ulysses spacecraft (1AU to 5AU). We calculate the cumulative distribution function (CDF) of the time delayed differences in kinetic and magnetic energy density and present a method through which the scaling exponent can be reliably calculated from the CDFs, instead of using structure functions which are very sensitive to large fluctuations. We compare the scaling exponents derived from the CDFs to the ones calculated from structure functions and study the rescaling properties of CDFs.
The kinetics of UV-B induced photoinhibition of photosynthesis in the context of vertical mixing
Lesser, M.P.; Cullen, J.J. )
1990-01-09
The effect of ultraviolet radiation on primary productivity is conventionally assessed by putting natural samples in containers with different transmission characteristics and measuring the effects of specified wavebands on the uptake of [sup 14]C-bicarbonate. In the marine environment, the waveband of principal importance is the middle ultraviolet (UV-B). Because the time scale of the experiment may not match the time scale of vertical mixing, it is implicitly or explicitly assumed that the relative reduction of photosynthesis associated with UV-B is independent of the duration of exposure. It this were true, vertical mixing in the surface layer of the sea would not change the effect of ultraviolet radiation on integral photosynthesis, even though it would have a profound effect on the per-cell exposures to UV. These assumptions are not supported for photoinhibition of photosynthesis by visible light, but the question is unresolved for UV-B. Here we examine the assumptions underlying the experimental assessment of photoinhibition in nature, with particular emphasis on the kinetics of UV-B induced photoinhibition of photosynthesis. It is shown that if photoinhibition is modeled as dose-dependent reduction in the instantaneous rate of photosynthesis, the relative reduction of [sup 14]C-bicarbonate uptake associated with UV-B exposure will increase with time. If, as suggested by published results, the process of photoinhibition is a function of irradiance as well as dose, models and interpretations become more complicated. We use previously published and new experimental results to demonstrate how experiments can overestimate UV-induced photoinhibition when incubation time is longer than the temporal scale of vertical mixing.
Costas, Miguel; Rodríguez-Larrea, David; De Maria, Leonardo; Borchert, Torben V; Gómez-Puyou, Armando; Sanchez-Ruiz, Jose M
2009-01-23
Theoretical, computational, and experimental studies have suggested the existence of solvation barriers in protein unfolding and denaturation processes. These barriers are related to the finite size of water molecules and can be envisioned as arising from the asynchrony between water penetration and breakup of internal interactions. Solvation barriers have been proposed to play roles in protein cooperativity and kinetic stability; therefore, they may be expected to be subject to natural selection. We study the thermal denaturation, in the presence and in the absence of chemical denaturants, of triosephosphate isomerases (TIMs) from three different species: Trypanosoma cruzi, Trypanosoma brucei, and Leishmania mexicana. In all cases, denaturation was irreversible and kinetically controlled. Surprisingly, however, we found large differences between the kinetic denaturation parameters, with T. cruzi TIM showing a much larger activation energy value (and, consequently, much lower room-temperature, extrapolated denaturation rates). This disparity cannot be accounted for by variations in the degree of exposure to solvent in transition states (as measured by kinetic urea m values) and is, therefore, to be attributed mainly to differences in solvation-barrier contributions. This was supported by structure-energetics analyses of the transition states and by application of a novel procedure to estimate from experimental data the solvation-barrier impact at the entropy and free-energy levels. These analyses were actually performed with an extended protein set (including six small proteins plus seven variants of lipase from Thermomyces lanuginosus and spanning a wide range of activation parameters), allowing us to delineate the general trends of the solvation-barrier contributions. Overall, this work supports that proteins sharing the same structure and function but belonging to different organisms may show widely different solvation barriers, possibly as a result of different
Hyperthermal Energy Collisions of CF3+ Ions With Modified Surfaces: Surface-Induced Dissociation
Rezayat, Talayeh; Shukla, Anil K.
2004-12-01
The dissociative scattering of low-energy ions, especially polyatomic ions, from surfaces has become an active area of research in chemistry, physics and material sciences. The interaction between an ion and a surface is more complicated than ion and gaseous neutral collisions and needs to be explored in detail to understand the ion excitation and dissociation phenomena associated with Surface-induced dissociation (SID) of ions, a technique used for the analysis of high mass ions from biological molecules. However, dynamics studies of SID have been performed only for a few simple systems, viz., ethanol, acetone, benzene and carbon disulfide ions. We have therefore undertaken a study of the SID of a small polyatomic ion, CF3+, at several collision energies between 28.8 eV and 159 eV in collision with fluorinated alkyl thiol on gold 111 crystal. These experiment were performed using a custom built tandem mass spectrometer where the energy and intensity distributions of the scattered fragment ions were measured as a function of the fragment mass and scattering angle. In contrast with the previous studies of the SID of ethanol and acetone cations where the inelastically scattered primary ions dominated the collision process (up to {approx}50 eV maximum energy used in those experiments), we did not observe a measurable abundance of inelastically scattered undissociated CF3+ ions up to the lowest energy studied here. We observed all fragment ions, CF2+, CF+, F+ and C+ at all energies studied with the relative intensity of the highest energy pathway, C+, increasing with collision energy. Also, the SID efficiency decreased significantly as the collision energy was increased from 106 eV to 159 eV. The energy distributions of all the fragment ions showed two distinct components, one corresponding to the loss of nearly all of the kinetic energy and scattered over a broad angular range while the other corresponding to smaller kinetic energy losses and scattered closer to the
Energy flow along the medium-induced parton cascade
Blaizot, J.-P.
2016-05-15
We discuss the dynamics of parton cascades that develop in dense QCD matter, and contrast their properties with those of similar cascades of gluon radiation in vacuum. We argue that such cascades belong to two distinct classes that are characterized respectively by an increasing or a constant (or decreasing) branching rate along the cascade. In the former class, of which the BDMPS, medium-induced, cascade constitutes a typical example, it takes a finite time to transport a finite amount of energy to very soft quanta, while this time is essentially infinite in the latter case, to which the DGLAP cascade belongs. The medium induced cascade is accompanied by a constant flow of energy towards arbitrary soft modes, leading eventually to the accumulation of the initial energy of the leading particle at zero energy. It also exhibits scaling properties akin to wave turbulence. These properties do not show up in the cascade that develops in vacuum. There, the energy accumulates in the spectrum at smaller and smaller energy as the cascade develops, but the energy never flows all the way down to zero energy. Our analysis suggests that the way the energy is shared among the offsprings of a splitting gluon has little impact on the qualitative properties of the cascades, provided the kernel that governs the splittings is not too singular.
H-induced (1 × 2) reconstruction of the Cu(110) surface: structure and deconstruction kinetics
NASA Astrophysics Data System (ADS)
Spitzl, Ralf; Niehus, Horst; Poelsema, Bene; Comsa, George
1990-12-01
180° -neutral impact collision ion scattering spectroscopy (NICISS) measurements demonstrate that the H-induced (1 × 2) reconstruction of Cu(110) is of the missing row type. Every other close packed <110> row of the first layer is absent. The reconstruction has been observed in the entire exposure range of (300-6000) × 10 -6mbars. No evidence has been found for a reconstruction involving only displacements of atoms in deeper layers. The lifting of the reconstruction in the temperature range of 290 to 315 K can be described by a first-order process with an activation energy of Ea = 0.88 eV.
Hoffman, D.; Lee, D.; Ghiorso, A.; Nurmia, M.; Aleklett, K.
1980-10-01
We have measured the mass and kinetic-energy distributions for fragments from the spontaneous fission of 1.2-s /sup 246/Fm and 38-s /sup 248/Fm. The mass distributions are highly asymmetric and the average total kinetic energies of 199 +- 4 MeV and 198 +- 4 MeV, respectively, are consistent with systematics for lower Z actinides. Their properties are in contrast to those of /sup 258/Fm and /sup 259/Fm, whose spontaneous fission results in narrowly symmetric mass distributions accompanied by unusually high total kinetic energies.
Kinetics of the radiation-induced radicals in gamma irradiated solid cefazolin sodium
NASA Astrophysics Data System (ADS)
Yurus, S.; Korkmaz, M.
2005-01-01
Room and high temperature kinetic and spectroscopic features of the radical species produced in gamma irradiated cefazolin sodium (here after CS) were investigated in detail using electron spin resonance (ESR) spectroscopy to determine the feasibility of its sterilization by radiation and to explore the dosimetric properties of this semi-synthetic representative of cephalosporins. Irradiated CS exhibits an unresolved ESR doublet as other cephalosporins reported up to date. Signal intensity data derived from microwave saturation, dose-response, decays at room and at high temperature studies were analysed assuming a model of two radical species giving rise to doublet and singlet ESR signals. Spectroscopic parameters of these species were determined through spectrum simulation calculations. Decay parameters calculated from annealing studies at seven different temperatures were used to calculate the activation energies of the contributing species. Radiosensitivity of CS to gamma rays was found to be relatively low in the dose range of 0-25 kGy. This conclusion was considered as an indication of the feasibility of radiosterilization of CS by gamma radiation. Five different functions were tried to explore dose-response data of CS in the dose range of 0-25 kGy and it was concluded that a function comprising a linear and a quadratic terms of applied dose describes best experimental results.
NASA Technical Reports Server (NTRS)
Randel, David L.; Vonder Haar, Thomas H.
1990-01-01
The zonal and eddy kinetics energies and available potential energies are examined for both the Northern and the Southern Hemispheres, using a data set produced by 8 years of continuous simultaneous observations of the circulation parameters and measurements of the earth radiation budget (ERB) from the Nimbus-7 ERB experiment. The relationships between the seasonal cycles in ERB and those of the energetics are obtained, showing that the solar annual cycle accounts for most of the seasonal variability. It was found that the ERB midlatitude gradients of the net balance and the outgoing radiation lead the annual cycle of the energetics by 2-3 weeks.
Hydroxyapatite kinetic deposition on solid substrates induced by laser-liquid-solid interaction
NASA Astrophysics Data System (ADS)
Pramatarova, Liliana; Pecheva, Emilia; Petrov, Todor; Presker, Radina; Stutzmann, Martin
2005-04-01
Hydroxyapatite (HA) is present in the human body as a mineral constituent of the bones and teeth, as well as a major or minor component of kidney stones. HA deposited on different solid substrates can find applications including biomaterials and biosensors. This work deals with the kinetics of the HA growth by applying a novel method of laser-liquid-solid-interaction (LLSI) process on three types of materials (stainless stell, silicon and silica glass). The method allows interaction between a pulsed laser and a substrate immersed in a solution (simulated body fluid, SBF). By a scanning system, a design of seven squares at a distance of 200 μm was created at the end of each sample. In this way the center of the substrate (about 6x6 mm) was no irradiated. Following the LLSI process, the samples were left in the irradiated SBF for various intervals of time. Light microscopy (LM) showed surfaces seede with randomly distributed transparent and white particles. The surface seeding increased with the immersion time and was dependent on the substrate type. Fourier transform infrared (FTIR) spectrsocopy showed that in the first stage of soaking (up to 6 h) the observed white particles were calcium phosphate containing. Energy dispersive X-ray (EDX) spectrsocopy revealed that the transparent particles were NaCl. In the next stage (after 12 h) vibrational modes typical for HA were clearly observed. Detailed observation with scanning electron microscopy (SEM) after 12 h showed morphology of sphere-like aggregates, grouped in a porous network. Raman spectroscopy, X-ray diffraction (XRD) and EDX confirmed that after 12 h the grown layer was HA. It was found that in comparison to the traditionally empoyed prolonged soaking in SBF, the applied LLSI process yielded a synergistic effect due to the simultaneous use of the solid substrate, the aqueous solution and the laser energy.
Dai, Zuyang; Gao, Shuming; Wang, Jia; Mo, Yuxiang
2014-10-14
The torsional energy levels of CH3OH(+), CH3OD(+), and CD3OD(+) have been determined for the first time using one-photon zero kinetic energy photoelectron spectroscopy. The adiabatic ionization energies for CH3OH, CH3OD, and CD3OD are determined as 10.8396, 10.8455, and 10.8732 eV with uncertainties of 0.0005 eV, respectively. Theoretical calculations have also been performed to obtain the torsional energy levels for the three isotopologues using a one-dimensional model with approximate zero-point energy corrections of the torsional potential energy curves. The calculated values are in good agreement with the experimental data. The barrier height of the torsional potential energy without zero-point energy correction was calculated as 157 cm(-1), which is about half of that of the neutral (340 cm(-1)). The calculations showed that the cation has eclipsed conformation at the energy minimum and staggered one at the saddle point, which is the opposite of what is observed in the neutral molecule. The fundamental C-O stretch vibrational energy level for CD3OD(+) has also been determined. The energy levels for the combinational excitation of the torsional vibration and the fundamental C-O stretch vibration indicate a strong torsion-vibration coupling.
NASA Astrophysics Data System (ADS)
Bhattacharya, Ritthik; Stevens, Bjorn
2016-03-01
A two Turbulence Kinetic Energy (2TKE) model is developed to address the boundary layer "grey zone" problem. The model combines ideas from local and nonlocal models into a single energetically consistent framework. By applying the Reynolds averaging to the large eddy simulation (LES) equations that employ Deardorff's subgrid TKE, we arrive at a system of equations for the boundary layer quantities and two turbulence kinetic energies: one which encapsulates the TKE of large boundary-layer-scale eddies and another which represents the energy of eddies subgrid to the vertical grid size of a typical large-scale model. These two energies are linked via the turbulent cascade of energy from larger to smaller scales and are used to model the mixing in the boundary layer. The model is evaluated for three dry test cases and found to compare favorably to large eddy simulations. The usage of two TKEs for mixing helps reduce the dependency of the model on the vertical grid scale as well as on the free tropospheric stability and facilitates a smoother transition from convective to stable regimes. The usage of two TKEs representing two ranges of scales satisfies the prerequisite for modeling the boundary layer in the "grey zone": an idea that is explored further in a companion paper.
Kinetics and Mechanisms of Phase Transformations Induced by Ball-Milling in Anatase TiO 2
NASA Astrophysics Data System (ADS)
Bégin-Colin, S.; Girot, T.; Le Caër, G.; Mocellin, A.
2000-01-01
Ball-milling is a way of inducing phase transformations, chemical reactions, and changes in the reactivity of solids. It is a complex process for which several models have been developed to predict the evolution of systems and to describe its physics. These models sometimes empirically need experimental data to be ascertained and to confirm general theories of system evolutions. In this work, we investigate the effect of two milling parameters, the powder to ball weight ratio R and the nature of the grinding media, on the kinetics of phase transformations in anatase TiO2 powder. These experiments established that R affects only the reaction rate. The kinetics are faster with alumina than with steel grinding tools for a given R, specific injected powers being similar. It has been demonstrated that the phase transformations induced by grinding TiO2 occur without fracturing of particles and mechanisms are commented upon.
NASA Astrophysics Data System (ADS)
Zhang, Xitong; Zhao, Shijun; Wang, Yuyu; Xue, Jianming
2017-04-01
The damage production induced by MeV highly charged ions (HCI) irradiations in graphene supported on a SiO2 substrate is investigated using molecular dynamics method. We get results in agreement with our recent experiments. We find that the electronic energy loss and potential energy deposition have similar effects on the defects creation in SiO2 substrate-supported graphene and both mechanisms of energy deposition seem to contribute in an additive way. The influences of the energy deposition depth and radius are studied. Only the energy deposited below the surface within 2.5 nm will induce the damage in graphene. Hence, the HCI can be a powerful tool to induce defects in graphene without causing deep damage of the substrate. When charge of incident Xeq+ is above 30, a nanopore is formed and the size of nanopore in graphene can be controlled by changing the incident charge state.
Development of the cycloidal propeller StECon as a new small hydropower plant for kinetic energy
NASA Astrophysics Data System (ADS)
Schmidt, J.; Jensen, J.; Wieland, J.; Lohr, W.; Metzger, J.; Stiller, H.-L.
2016-11-01
The StECon (Stiller Energy Converter) is a promising new small hydropower plant for kinetic energy. It is an invention of Mr. Hans-Ludwig Stiller and has several advantages compared to the technologies for the use of hydropower known for millennia. It runs completely submerged forwards and backwards, with horizontal or vertical axis and has a compact design by using a single or a double-sided planetary gear with optimum alignment to the flow direction. The possible applications include mobile and stationary tide and current generators as well as hybrid solutions, either as a generator or as a propulsion system. The high expectations have to be confirmed in a research project StEwaKorad at the University of Siegen. Aim of this research project is to investigate the performance and characteristics of the StECon as an energy converter for producing renewable energy from hydropower with low fall heights including sea currents.
NASA Astrophysics Data System (ADS)
Rosenman, Efrat; Persky, Avigdor
1995-06-01
Quasiclassical trajectory calculations were carried out for the reactions F + H 2, F + D 2, and F + HD, using two potential energy surfaces T5A and 6SEC. The results which include rate constants and kinetic isotope effects as a function of temperature, isotopic branching ratios for F + HD as a function off collision energy and the energy partitioning and vibrational state distributions of the products at room temperature, are compared with experimental data. For most of the quantities under study, the results for the 6SEC surface are in qualitative agreement with experiment, as opposed to the results for the T5A surface. The conclusions from the present study concerning the quality of the 6SEC surface are consistent with the conclusions of Aoiz et al. which are based mainly on calculations of vibrationally state resolved differential cross sections and vibrational distributions of products, for specific collision energies.
NASA Astrophysics Data System (ADS)
Rebelo, André; Cunha, Tiago; Mendes, Mónica; da Silva, Filipe Ferreira; García, Gustavo; Limão-Vieira, Paulo
2016-06-01
Kinetic-energy release distributions have been obtained from the width and shapes of the time-of-flight (TOF) negative ion mass peaks formed in collisions of fast potassium atoms with D-Ribose (DR) and tetrahydrofuran (THF) molecules. Recent dissociative ion-pair formation experiments yielding anion formation have shown that the dominant fragment from D-Ribose is OH- [D. Almeida, F. Ferreira da Silva, G. García, P. Limão-Vieira, J. Chem. Phys. 139, 114304 (2013)] whereas in the case of THF is O- [D. Almeida, F. Ferreira da Silva, S. Eden, G. García, P. Limão-Vieira, J. Phys. Chem. A 118, 690 (2014)]. The results for DR and THF show an energy distribution profile reminiscent of statistical degradation via vibrational excitation and partly due to direct transformation of the excess energy in translational energy.
Solar Sailing Kinetic Energy Interceptor (KEI) Mission for Impacting/Deflecting Near-Earth Asteroids
NASA Technical Reports Server (NTRS)
Wie, Bong
2005-01-01
A solar sailing mission architecture, which requires a t least ten 160-m, 300-kg solar sail spacecraft with a characteristic acceleration of 0.5 mm/sqs, is proposed as a realistic near- term option for mitigating the threat posed by near-Earth asteroids (NEAs). Its mission feasibility is demonstrated for a fictional asteroid mitigation problem created by AIAA. This problem assumes that a 200-m asteroid, designated 2004WR, was detected on July 4, 2004, and that the expected impact will occur on January 14, 2015. The solar sailing phase of the proposed mission for the AIAA asteroid mitigation problem is comprised of the initial cruise phase from 1 AU t o 0.25 AU (1.5 years), the cranking orbit phase (3.5 years), and the retrograde orbit phase (1 year) prior to impacting the target asteroid at its perihelion (0.75 AU from the sun) on January 1, 2012. The proposed mission will require at least ten kinetic energy interceptor (KEI) solar sail spacecraft. Each KEI sailcraft consists of a 160- m, 150-kg solar sail and a 150-kg microsatellite impactor. The impactor is to be separated from a large solar sail prior to impacting the 200-m target asteroid at its perihelion. Each 150-kg microsatellite impactor, with a relative impact velocity of at least 70 km/s, will cause a conservatively estimated AV of 0.3 cm/s in the trajectory of the 200-m target asteroid, due largely to the impulsive effect of material ejected from the newly-formed crater. The deflection caused by a single impactor will increase the Earth-miss-distance by 0.45Re (where Re denotes the Earth radius of 6,378 km). Therefore, at least ten KEI sailcraft will be required for consecutive impacts, but probably without causing fragmentation, to increase the total Earth-miss-distance by 4.5Re. This miss-distance increase of 29,000 km is outside of a typical uncertainty/error of about 10,000 km in predicting the Earth-miss- distance. A conventional Delta I1 2925 launch vehicle is capable of injecting at least two KEI
Altabet, Y Elia; Haji-Akbari, Amir; Debenedetti, Pablo G
2017-03-13
The evaporation of water induced by confinement between hydrophobic surfaces has received much attention due to its suggested functional role in numerous biophysical phenomena and its importance as a general mechanism of hydrophobic self-assembly. Although much progress has been made in understanding the basic physics of hydrophobically induced evaporation, a comprehensive understanding of the substrate material features (e.g., geometry, chemistry, and mechanical properties) that promote or inhibit such transitions remains lacking. In particular, comparatively little research has explored the relationship between water's phase behavior in hydrophobic confinement and the mechanical properties of the confining material. Here, we report the results of extensive molecular simulations characterizing the rates, free energy barriers, and mechanism of water evaporation when confined between model hydrophobic materials with tunable flexibility. A single-order-of-magnitude reduction in the material's modulus results in up to a nine-orders-of-magnitude increase in the evaporation rate, with the corresponding characteristic time decreasing from tens of seconds to tens of nanoseconds. Such a modulus reduction results in a 24-orders-of-magnitude decrease in the reverse rate of condensation, with time scales increasing from nanoseconds to tens of millions of years. Free energy calculations provide the barriers to evaporation and confirm our previous theoretical predictions that making the material more flexible stabilizes the confined vapor with respect to liquid. The mechanism of evaporation involves surface bubbles growing/coalescing to form a subcritical gap-spanning tube, which then must grow to cross the barrier.
Taillefert, Martial; Van Cappellen, Philippe
2016-11-14
Recent developments in the theoretical treatment of geomicrobial reaction processes have resulted in the formulation of kinetic models that directly link the rates of microbial respiration and growth to the corresponding thermodynamic driving forces. The overall objective of this project was to verify and calibrate these kinetic models for the microbial reduction of uranium(VI) in geochemical conditions that mimic as much as possible field conditions. The approach combined modeling of bacterial processes using new bioenergetic rate laws, laboratory experiments to determine the bioavailability of uranium during uranium bioreduction, evaluation of microbial growth yield under energy-limited conditions using bioreactor experiments, competition experiments between metabolic processes in environmentally relevant conditions, and model applications at the field scale. The new kinetic descriptions of microbial U(VI) and Fe(III) reduction should replace those currently used in reactive transport models that couple catabolic energy generation and growth of microbial populations to the rates of biogeochemical redox processes. The above work was carried out in collaboration between the groups of Taillefert (batch reactor experiments and reaction modeling) at Georgia Tech and Van Cappellen (retentostat experiments and reactive transport modeling) at University of Waterloo (Canada).
NASA Astrophysics Data System (ADS)
Yang, Wei; Dong, Zhiwei
2016-01-01
This paper investigates the electron-vibrational (e-V) energy exchange in nitrogen-containing plasma, which is very efficient in the case of gas discharge and high speed flow. Based on Harmonic oscillator approximation and the assumption of the e-V relaxation through a continuous series of Boltzmann distributions over the vibrational states, an analytic approach is derived from the proposed scaling relation of e-V transition rates. A full kinetic model is then investigated by numerically solving the state-to-state master equation for all vibrational levels. The analytical approach leads to a Landau-Teller (LT)-type equation for relaxation of vibrational energy, and predicts the relaxation time on the right order of magnitude. By comparison with the kinetic model, the LT-type equation is valid in typical electron temperatures in gas discharge. However, the analytical approach is not capable of describing the vibrational distribution function during the e-V process in which a full kinetic model is required. supported by National Natural Science Foundation of China (No. 11505015) and the National High-Tech Research and Development Program of China (863 Program)
Kinetic-Energy Distribution of D(2p) Atoms from Analysis of the D Lyman-Alpha Line Profile
NASA Technical Reports Server (NTRS)
Ciocca, M.; Ajello, Joseph M.; Liu, Xianming; Maki, Justin
1997-01-01
The kinetic-energy distribution of D(2p) atoms resulting from electron-impact dissociation of D2 has been measured. A high-resolution vacuum ultraviolet spectrometer was employed for the first measurement of the D Lyman-alpha (D L(alpha)) emission line profiles at 20- and 100-eV excitation energies. Analysis of the deconvoluted line profile of D L(alpha) at 100 eV reveals the existence of a narrow line central peak of 29+/-2 mA full width at half maximum and a broad pedestal wing structure about 190 mA wide. The wings of the line can be used to determine the fast atom distribution. The wings of D L(alpha) arise from dissociative excitation of a series of doubly excited states that cross the Franck-Condon region between 23 and 40 eV. The fast atom distribution at 100-eV electron impact energy spans the energy range from 1 to 10 eV with a peak value near 6 eV. Slow D(2p) atoms characterized by a distribution function with peak energy near 100 meV produce the central peak profile, which is nearly independent of the impact energy. The deconvoluted line profiles of the central peak at 20 eV for dissociative excitation of D2 and H2 are fitted with an analytical function for use in calibration of space flight instrumentation equipped with a D/H absorption cell. The kinetic-energy and line profile results are compared to similar measurements for H2. The absolute cross sections for the line center (slow atoms) and wings (fast atoms) and total emission line profile were measured from threshold to 400 eV. Analytical model coefficients are given for the energy dependence of the measured slow atom cross section.
Some symmetry-induced isotope effects in the kinetics of recombination reactions.
Pack, Russell T; Walker, Robert B
2004-07-08
Symmetry-induced isotope effects in recombination and collision-induced dissociation reactions are discussed. Progress on understanding the anomalous isotope effects in ozone is reviewed. Then, calculations are performed for the simpler reaction xNe+yNe+H<-->xNeyNe+H, where x and y label either identical or different isotopes. The atomic masses in the model are chosen so that symmetry is the only difference between the systems. Starting from a single potential energy surface, the properties of the bound, quasibound, and continuum states of the neon dimer are calculated. Then, the vibration rotation infinite order sudden approximation is used to calculate cross sections for all possible inelastic and dissociative processes. A rate constant matrix that exactly satisfies detailed balance is constructed. It allows recombination to occur both via direct three-body collisions and via tunneling into the quasibound states of the energy transfer mechanism. The eigenvalue rate coefficients are determined. Significant isotope effects are clearly found, and their behavior depends on the pressure, temperature, and mechanism of the reaction. Both spin statistics and symmetry breaking produce isotope effects. Under most conditions the breaking of symmetry enhances the rates, but a wide spectrum of effects is observed; they range from isotope effects with a normal mass dependence to huge, mass-independent isotope effects to cancellation and even to reversal of the isotope effects. This is the first calculation of symmetry-induced isotope effects in recombination rates from first principles. The relevance of the present effects to ozone recombination is discussed.
NASA Astrophysics Data System (ADS)
Cooper, Theresa E.; Carl, D. R.; Armentrout, P. B.
2009-11-01
The first experimentally determined sequential bond dissociation energies of Zn2+(H2O)n complexes, where n = 6-10, are measured using threshold collision-induced dissociation in a guided ion beam tandem mass spectrometer coupled with an electrospray ionization source. Kinetic energy dependent cross sections are obtained and analyzed to yield 0 K threshold measurements for the loss of one and two water ligands after accounting for multiple collisions, kinetic shifts, and energy distributions. The threshold measurements are then converted from 0 to 298 K values to give the hydration energies for sequentially losing one water from each parent complex. Theoretical geometry optimizations and single-point energy calculations are performed using several levels of theory for comparison to experiment. Although different levels of theory disagree on the ground-state conformation of most complexes examined here leading to potential ambiguities in the final thermochemical values, calculations at the MP2(full) level provide the best agreement with experiment. On this basis, the present experiments are most consistent with the inner solvent shell of Zn2+ being five waters, except for Zn2+(H2O)6 where all waters bind directly to the metal ion. The charge separation process, Zn2+(H2O)n → ZnOH+(H2O)m + H+(H2O)n-m-1, which is in competition with the loss of water from the parent complex, is also observed for n = 6-8. These processes are analyzed in detail in the following paper.
A kinetic study of the mechanism of radiation induced agglomeration of ovalbumin in aqueous solution
NASA Astrophysics Data System (ADS)
Tuce, Zorana; Janata, Eberhard; Radojcic, Marija; Milosavljevic, Bratoljub H.
2001-10-01
The effect of concentration on the protein radiolytic damage resulting in a change in molecular mass was measured in the concentration range from 0.2 to 2 mmol×dm -3 ovalbumin in phosphate buffered solutions saturated with N 2O. The electrophoretic analysis of samples on discontinuous SDS-polyacrylamide gels in the presence or absence of 5% β-mercaptoethanol showed an expected result, i.e. that the protein scission did not take place in the absence of oxygen. Only ovalbumin agglomerates, bonded by covalent bonds other than S-S bridges, were observed. The G-value for the formation of ovalbumin agglomerates increased linearly from 1.1 to 2.4 by increasing the ovalbumin concentration from 0.2 to 2 mmol×dm -3. The result is interpreted as to be owing to the competition between ovalbumin agglomeration and some intramolecular reactions which did not lead to the change in the molecular mass. It was also found that the G-value is independent of irradiation dose rate. The result was rationalized as a kinetic evidence that the agglomeration is not a cross-linking process, i.e. it does not occur via recombination of the protein radicals produced in the interaction of ovalbumin and rad OH radical. The result suggested that the agglomeration takes place via the process of grafting, i.e. it occurs in the reaction of ovalbumin radical and an intact ovalbumin molecule. The time-resolved light scattering experiments provided an additional proof, supporting the reaction scheme of radiation-induced protein agglomeration. The biological consequences of the proposed mechanism of protein agglomeration are also discussed.
NASA Technical Reports Server (NTRS)
Lanyi, Janos K.
1977-01-01
Cell envelope vesicles prepared from H. halobium contain bacteriorhodopsin and upon illumination protons are ejected. Coupled to the proton motive force is the efflux of Na(+). Measurements of Na-22 flux, exterior pH change, and membrane potential, Delta(psi) (with the dye 3,3'-dipentyloxadicarbocyanine) indicate that the means of Na(+) transport is sodium/proton exchange. The kinetics of the pH changes and other evidence suggests that the antiport is electrogenic (H(+)/Na(++ greater than 1). The resulting large chemical gradient for Na(+) (outside much greater than inside), as well as the membrane potential, will drive the transport of 18 amino acids. The I9th, glutamate, is unique in that its accumulation is indifferent to Delta(psi): this amino acid is transported only when a chemical gradient for Na(+) is present. Thus, when more and more NaCl is included in the vesicles glutamate transport proceeds with longer and longer lags. After illumination the gradient of H+() collapses within 1 min, while the large Na(+) gradient and glutamate transporting activity persists for 10- 15 min, indicating that proton motive force is not necessary for transport. A chemical gradient of Na(+), arranged by suspending vesicles loaded with KCl in NaCl, drives glutamate transport in the dark without other sources of energy, with V(sub max) and K(sub m) comparable to light-induced transport. These and other lines of evidence suggest that the transport of glutamate is facilitated by symport with Na(+), in an electrically neutral fashion, so that only the chemical component of the Na(+) gradient is a driving force.
Nicotinamide prevents ultraviolet radiation-induced cellular energy loss.
Park, Joohong; Halliday, Gary M; Surjana, Devita; Damian, Diona L
2010-01-01
UV radiation is carcinogenic by causing mutations in the skin and also by suppressing cutaneous antitumor immunity. We previously found nicotinamide (vitamin B3) to be highly effective at reducing UV-induced immunosuppression in human volunteers, with microarray studies on in vivo irradiated human skin suggesting that nicotinamide normalizes subsets of apoptosis, immune function and energy metabolism-related genes that are downregulated by UV exposure. Using human adult low calcium temperature keratinocytes, we further investigated nicotinamide's effects on cellular energy metabolism. We found that nicotinamide prevented UV-induced cellular ATP loss and protected against UV-induced glycolytic blockade. To determine whether nicotinamide alters the effects of UV-induced oxidative stress posttranslationally, we also measured UV-induced reactive oxygen species (ROS). Nicotinamide had no effect on ROS formation, and at the low UV doses used in these studies, equivalent to ambient daily sun exposure, there was no evidence of apoptosis. Hence, nicotinamide appears to exert its UV protective effects on the skin via its role in cellular energy pathways.
Low Head, Vortex Induced Vibrations River Energy Converter
Bernitsas, Michael B.; Dritz, Tad
2006-06-30
Vortex Induced Vibrations Aquatic Clean Energy (VIVACE) is a novel, demonstrated approach to extracting energy from water currents. This invention is based on a phenomenon called Vortex Induced Vibrations (VIV), which was first observed by Leonardo da Vinci in 1504AD. He called it ‘Aeolian Tones.’ For decades, engineers have attempted to prevent this type of vibration from damaging structures, such as offshore platforms, nuclear fuel rods, cables, buildings, and bridges. The underlying concept of the VIVACE Converter is the following: Strengthen rather than spoil vortex shedding; enhance rather than suppress VIV; harness rather than mitigate VIV energy. By maximizing and utilizing this unique phenomenon, VIVACE takes this “problem” and successfully transforms it into a valuable resource for mankind.
Energy Thresholds of DNA Damage Induced by UV Radiation: An XPS Study.
Gomes, P J; Ferraria, A M; Botelho do Rego, A M; Hoffmann, S V; Ribeiro, P A; Raposo, M
2015-04-30
This work stresses on damage at the molecular level caused by ultraviolet radiation (UV) in the range from 3.5 to 8 eV, deoxyribonucleic acid (DNA) films observed by X-ray photoelectron spectroscopy (XPS). Detailed quantitative XPS analysis, in which all the amounts are relative to sodium-assumed not to be released from the samples, of the carbon, oxygen, and particularly, nitrogen components, reveals that irradiation leads to sugar degradation with CO-based compounds release for energies above 6.9 eV and decrease of nitrogen groups which are not involved in hydrogen bonding at energies above 4.2 eV. Also the phosphate groups are seen to decrease to energies above 4.2 eV. Analysis of XPS spectra allowed to conclude that the damage on bases peripheral nitrogen atoms are following the damage on phosphates. It suggests that very low kinetic energy photoelectrons are ejected from the DNA bases, as a result of UV light induced breaking of the phosphate ester groups which forms a transient anion with resonance formation and whereby most of the nitrogen DNA peripheral groups are removed. The degree of ionization of DNA was observed to increase with radiation energy, indicating that the ionized phosphate groups are kept unchanged. This result was interpreted by the shielding of phosphate groups caused by water molecules hydration near sodium atoms.
Evaluating vehicular-induced bridge vibrations for energy harvesting applications
NASA Astrophysics Data System (ADS)
Reichenbach, Matthew; Fasl, Jeremiah; Samaras, Vasilis A.; Wood, Sharon; Helwig, Todd; Lindenberg, Richard
2012-04-01
Highway bridges are vital links in the transportation network in the United States. Identifying possible safety problems in the approximately 600,000 bridges across the country is generally accomplished through labor-intensive, visual inspections. Ongoing research sponsored by NIST seeks to improve inspection practices by providing real-time, continuous monitoring technology for steel bridges. A wireless sensor network with a service life of ten years that is powered by an integrated energy harvester is targeted. In order to achieve the target ten-year life for the monitoring system, novel approaches to energy harvesting for use in recharging batteries are investigated. Three main sources of energy are evaluated: (a) vibrational energy, (b) solar energy, and (c) wind energy. Assessing the energy produced from vehicular-induced vibrations and converted through electromagnetic induction is the focus of this paper. The goal of the study is to process acceleration data and analyze the vibrational response of steel bridges to moving truck loads. Through spectral analysis and harvester modeling, the feasibility of vibration-based energy harvesting for longterm monitoring can be assessed. The effects of bridge conditions, ambient temperature, truck traffic patterns, and harvester position on the power content of the vibrations are investigated. With sensor nodes continually recharged, the proposed real-time monitoring system will operate off the power grid, thus reducing life cycle costs and enhancing inspection practices for state DOTs. This paper will present the results of estimating the vibration energy of a steel bridge in Texas.
Development of enhanced piezoelectric energy harvester induced by human motion.
Minami, Y; Nakamachi, E
2012-01-01
In this study, a high frequency piezoelectric energy harvester converted from the human low vibrated motion energy was newly developed. This hybrid energy harvester consists of the unimorph piezoelectric cantilever and a couple of permanent magnets. One magnet was attached at the end of cantilever, and the counterpart magnet was set at the end of the pendulum. The mechanical energy provided through the human walking motion, which is a typical ubiquitous presence of vibration, is converted to the electric energy via the piezoelectric cantilever vibration system. At first, we studied the energy convert mechanism and the performance of our energy harvester, where the resonance free vibration of unimorph cantilever with one permanent magnet under a rather high frequency was induced by the artificial low frequency vibration. The counterpart magnet attached on the pendulum. Next, we equipped the counterpart permanent magnet pendulum, which was fluctuated under a very low frequency by the human walking, and the piezoelectric cantilever, which had the permanent magnet at the end. The low-to-high frequency convert "hybrid system" can be characterized as an enhanced energy harvest one. We examined and obtained maximum values of voltage and power in this system, as 1.2V and 1.2 µW. Those results show the possibility to apply for the energy harvester in the portable and implantable Bio-MEMS devices.
Kim, Soo Min; Chun, Seungju; Bae, Suhyun; Park, Seungeun; Lee, Hae-seok Kim, Donghwan; Kang, Min Gu; Song, Hee-eun; Kang, Yoonmook
2014-08-25
Solar cells fabricated from boron-doped p-type Czochralski silicon suffer from light-induced degradation that can lower the conversion efficiency by up to 10% relative. When solar cells are exposed to temperatures between 100 °C and 200 °C under illumination, regeneration, in which the minority carrier lifetime is gradually recovered, occurs after the initial light-induced degradation. We studied the light-induced degradation and regeneration process using carrier injection within a design chamber and observed open-circuit voltage trends at various sample temperatures. We proposed a cyclic reaction kinetics model to more precisely analyze the degradation and recovery phenomenon. Our model incorporated the reaction paths that were not counted in the original model between the three states (annealed, degradation, and regeneration). We calculated a rate constant for each reaction path based on the proposed model, extracted an activation energy for each reaction using these rate constants at various temperatures, and calculated activation energies of redegradation and the stabilization reaction.
Abbruzzetti, S; Viappiani, C; Small, J R; Libertini, L J; Small, E W
2001-07-11
We have developed an instrumental setup that uses transient absorption to monitor protein folding/unfolding processes following a laser-induced, ultrafast release of protons from o-nitrobenzaldehyde. The resulting increase in [H(+)], which can be more than 100 microM, is complete within a few nanoseconds. The increase in [H(+)] lowers the pH of the solution from neutrality to approximately 4 at the highest laser pulse energy used. Protein structural rearrangements can be followed by transient absorption, with kinetic monitoring over a broad time range (approximately 10 ns to 500 ms). Using this pH-jump/transient absorption technique, we have examined the dissociation kinetics of non-native axial heme ligands (either histidine His26 or His33) in GuHCl-unfolded Fe(III) cytochrome c (cyt c). Deligation of the non-native ligands following the acidic pH-jump occurs as a biexponential process with different pre-exponential factors. The pre-exponential factors markedly depend on the extent of the pH-jump, as expected from differences in the pK(a) values of His26 and His33. The two lifetimes were found to depend on temperature but were not functions of either the magnitude of the pH-jump or the pre-pulse pH of the solution. The activation energies of the deligation processes support the suggestion that GuHCl-unfolded cyt c structures with non-native histidine axial ligands represent kinetic traps in unfolding.
Alric, Jean; Lavergne, Jérôme; Rappaport, Fabrice; Verméglio, André; Matsuura, Katsumi; Shimada, Keizo; Nagashima, Kenji V P
2006-03-29
In many electron-transfer proteins, the arrangement of cofactors implies a succession of uphill and downhill steps. The kinetic implications of such arrangements are examined in the present work, based on a study of chimeric photosynthetic reaction centers obtained by expressing the tetraheme subunit from Blastochloris viridis in another purple bacterium, Rubrivivax gelatinosus. Site-directed mutations of the environment of heme c559, which is the immediate electron donor to the primary donor P, induced modifications of this heme's midpoint potential over a range of 400 mV. This resulted in shifts of the apparent midpoint potentials of the neighboring carriers, yielding estimates of the interactions between redox centers. At both extremities of the explored range, the energy profile of the electron-transfer chain presented an additional uphill step, either downstream or upstream from c559. These modifications caused conspicuous changes of the electron-transfer rate across the tetraheme subunit, which became approximately 100-fold slower in the mutants where the midpoint potential of c559 was lowest. A theoretical analysis of the kinetics is presented, predicting a displacement of the rate-limiting step when lowering the potential of c559. A reasonable agreement with the data was obtained when combining this treatment with the rates predicted by electron transfer theory for the individual rate constants.
High order magnetic optics for high dynamic range proton radiography at a kinetic energy of 800 MeV
NASA Astrophysics Data System (ADS)
Sjue, S. K. L.; Mariam, F. G.; Merrill, F. E.; Morris, C. L.; Saunders, A.
2016-01-01
Flash radiography with 800 MeV kinetic energy protons at Los Alamos National Laboratory is an important experimental tool for investigations of dynamic material behavior driven by high explosives or pulsed power. The extraction of quantitative information about density fields in a dynamic experiment from proton generated images requires a high fidelity model of the proton imaging process. It is shown that accurate calculations of the transmission through the magnetic lens system require terms beyond second order for protons far from the tune energy. The approach used integrates the correlated multiple Coulomb scattering distribution simultaneously over the collimator and the image plane. Comparison with a series of static calibration images demonstrates the model's accurate reproduction of both the transmission and blur over a wide range of tune energies in an inverse identity lens that consists of four quadrupole electromagnets.
High order magnetic optics for high dynamic range proton radiography at a kinetic energy 800 MeV
Sjue, Sky K. L.; Morris, Christopher L.; Merrill, Frank Edward; Mariam, Fesseha Gebre; Saunders, Alexander
2016-01-14
Flash radiography with 800 MeV kinetic energy protons at Los Alamos National Laboratory is an important experimental tool for investigations of dynamic material behavior driven by high explosives or pulsed power. The extraction of quantitative information about density fields in a dynamic experiment from proton generated images requires a high fidelity model of the protonimaging process. It is shown that accurate calculations of the transmission through the magnetic lens system require terms beyond second order for protons far from the tune energy. The approach used integrates the correlated multiple Coulomb scattering distribution simultaneously over the collimator and the image plane. Furthermore, comparison with a series of static calibrationimages demonstrates the model’s accurate reproduction of both the transmission and blur over a wide range of tune energies in an inverse identity lens that consists of four quadrupole electromagnets.
High order magnetic optics for high dynamic range proton radiography at a kinetic energy of 800 MeV
Sjue, S. K. L. Mariam, F. G.; Merrill, F. E.; Morris, C. L.; Saunders, A.
2016-01-15
Flash radiography with 800 MeV kinetic energy protons at Los Alamos National Laboratory is an important experimental tool for investigations of dynamic material behavior driven by high explosives or pulsed power. The extraction of quantitative information about density fields in a dynamic experiment from proton generated images requires a high fidelity model of the proton imaging process. It is shown that accurate calculations of the transmission through the magnetic lens system require terms beyond second order for protons far from the tune energy. The approach used integrates the correlated multiple Coulomb scattering distribution simultaneously over the collimator and the image plane. Comparison with a series of static calibration images demonstrates the model’s accurate reproduction of both the transmission and blur over a wide range of tune energies in an inverse identity lens that consists of four quadrupole electromagnets.
High order magnetic optics for high dynamic range proton radiography at a kinetic energy 800 MeV
Sjue, Sky K. L.; Morris, Christopher L.; Merrill, Frank Edward; ...
2016-01-14
Flash radiography with 800 MeV kinetic energy protons at Los Alamos National Laboratory is an important experimental tool for investigations of dynamic material behavior driven by high explosives or pulsed power. The extraction of quantitative information about density fields in a dynamic experiment from proton generated images requires a high fidelity model of the protonimaging process. It is shown that accurate calculations of the transmission through the magnetic lens system require terms beyond second order for protons far from the tune energy. The approach used integrates the correlated multiple Coulomb scattering distribution simultaneously over the collimator and the image plane.more » Furthermore, comparison with a series of static calibrationimages demonstrates the model’s accurate reproduction of both the transmission and blur over a wide range of tune energies in an inverse identity lens that consists of four quadrupole electromagnets.« less
Mizuno, T.; Yamada, T.; Tsuchida, H.; Itoh, A.; Nakai, Y.
2010-01-15
We study ionization and fragmentation of CO in electron loss and capture collisions of B{sup 2+}, O{sup 2+}, and Si{sup 2+} ions at an energy of 71.4 keV/u (v=1.69 a.u.). Coincidence measurements of fragment ions from CO and charge-selected ions were performed by means of a momentum three-dimensional imaging technique. Production cross sections of CO{sup r+} and branching ratios into various fragmentation channels were obtained for r=1-4. We also measured kinetic energy release (KER) in individual fragmentation channels. The KER spectra for r<=2 are found to be different for electron loss and capture collisions, while the difference becomes small for r>=3. As a measure of the degree of molecular fragmentation, the magnitude of the binding energy of the relevant electronic states seems the important parameter both in loss and capture collisions.
Optimal energy harvesting from vortex-induced vibrations of cables
NASA Astrophysics Data System (ADS)
Antoine, G. O.; de Langre, E.; Michelin, S.
2016-11-01
Vortex-induced vibrations (VIV) of flexible cables are an example of flow-induced vibrations that can act as energy harvesting systems by converting energy associated with the spontaneous cable motion into electricity. This work investigates the optimal positioning of the harvesting devices along the cable, using numerical simulations with a wake oscillator model to describe the unsteady flow forcing. Using classical gradient-based optimization, the optimal harvesting strategy is determined for the generic configuration of a flexible cable fixed at both ends, including the effect of flow forces and gravity on the cable's geometry. The optimal strategy is found to consist systematically in a concentration of the harvesting devices at one of the cable's ends, relying on deformation waves along the cable to carry the energy towards this harvesting site. Furthermore, we show that the performance of systems based on VIV of flexible cables is significantly more robust to flow velocity variations, in comparison with a rigid cylinder device. This results from two passive control mechanisms inherent to the cable geometry: (i) the adaptability to the flow velocity of the fundamental frequencies of cables through the flow-induced tension and (ii) the selection of successive vibration modes by the flow velocity for cables with gravity-induced tension.
Optimal energy harvesting from vortex-induced vibrations of cables.
Antoine, G O; de Langre, E; Michelin, S
2016-11-01
Vortex-induced vibrations (VIV) of flexible cables are an example of flow-induced vibrations that can act as energy harvesting systems by converting energy associated with the spontaneous cable motion into electricity. This work investigates the optimal positioning of the harvesting devices along the cable, using numerical simulations with a wake oscillator model to describe the unsteady flow forcing. Using classical gradient-based optimization, the optimal harvesting strategy is determined for the generic configuration of a flexible cable fixed at both ends, including the effect of flow forces and gravity on the cable's geometry. The optimal strategy is found to consist systematically in a concentration of the harvesting devices at one of the cable's ends, relying on deformation waves along the cable to carry the energy towards this harvesting site. Furthermore, we show that the performance of systems based on VIV of flexible cables is significantly more robust to flow velocity variations, in comparison with a rigid cylinder device. This results from two passive control mechanisms inherent to the cable geometry: (i) the adaptability to the flow velocity of the fundamental frequencies of cables through the flow-induced tension and (ii) the selection of successive vibration modes by the flow velocity for cables with gravity-induced tension.
Slawinski, J; Bonnefoy, A; Ontanon, G; Leveque, J M; Miller, C; Riquet, A; Chèze, L; Dumas, R
2010-05-28
The aim of the present study was to measure during a sprint start the joint angular velocity and the kinetic energy of the different segments in elite sprinters. This was performed using a 3D kinematic analysis of the whole body. Eight elite sprinters (10.30+/-0.14s 100 m time), equipped with 63 passive reflective markers, realised four maximal 10 m sprints start on an indoor track. An opto-electronic Motion Analysis system consisting of 12 digital cameras (250 Hz) was used to collect the 3D marker trajectories. During the pushing phase on the blocks, the 3D angular velocity vector and its norm were calculated for each joint. The kinetic energy of 16 segments of the lower and upper limbs and of the total body was calculated. The 3D kinematic analysis of the whole body demonstrated that joints such as shoulders, thoracic or hips did not reach their maximal angular velocity with a movement of flexion-extension, but with a combination of flexion-extension, abduction-adduction and internal-external rotation. The maximal kinetic energy of the total body was reached before clearing block (respectively, 537+/-59.3 J vs. 514.9+/-66.0 J; p< or =0.01). These results suggested that a better synchronization between the upper and lower limbs could increase the efficiency of pushing phase on the blocks. Besides, to understand low interindividual variances in the sprint start performance in elite athletes, a 3D complete body kinematic analysis shall be used.
NASA Astrophysics Data System (ADS)
Adib, Artur B.
In the last two decades or so, a collection of results in nonequilibrium statistical mechanics that departs from the traditional near-equilibrium framework introduced by Lars Onsager in 1931 has been derived, yielding new fundamental insights into far-from-equilibrium processes in general. Apart from offering a more quantitative statement of the second law of thermodynamics, some of these results---typified by the so-called "Jarzynski equality"---have also offered novel means of estimating equilibrium quantities from nonequilibrium processes, such as free energy differences from single-molecule "pulling" experiments. This thesis contributes to such efforts by offering three novel results in nonequilibrium statistical mechanics: (a) The entropic analog of the Jarzynski equality; (b) A methodology for estimating free energies from "clamp-and-release" nonequilibrium processes; and (c) A directly measurable symmetry relation in chemical kinetics similar to (but more general than) chemical detailed balance. These results share in common the feature of remaining valid outside Onsager's near-equilibrium regime, and bear direct applicability in protein folding kinetics as well as in single-molecule free energy estimation.
Varela-Alvarez, Adrián; Rayón, V M; Redondo, P; Barrientos, C; Sordo, José A
2009-10-14
The gas-phase reaction between calcium monocation and fluoromethane: Ca(+)+CH(3)F-->CaF(+)+CH(3) was theoretically analyzed. The potential energy hypersurface was explored by using density functional theory methodology with different functionals and Pople's, Dunning's, Ahlrichs', and Stuttgart-Dresden basis sets. Kinetics calculations (energy and total angular momentum resolved microcanonical variational/conventional theory) were accomplished. The theoretically predicted range for the global kinetic rate constant values at 295 K (7.2x10(-11)-5.9x10(-10) cm(3) molecule(-1) s(-1)) agrees reasonably well with the experimental value at the same temperature [(2.6+/-0.8)x10(-10) cm(3) molecule(-1) s(-1)]. Explicit consideration of a two transition state model, where the formation of a weakly bounded prereactive complex is preceded by an outer transition state (entrance channel) and followed by an inner transition state connecting with a second intermediate that finally leads to products, is mandatory. Experimental observations on the correlation, or lack of correlation, between reaction rate constants and second ionization energies of the metal might well be rationalized in terms of this two transition state model.
NASA Astrophysics Data System (ADS)
Fedosin, Sergey G.
2016-10-01
The virial theorem is considered for a system of randomly moving particles that are tightly bound to each other by the gravitational and electromagnetic fields, acceleration field and pressure field. The kinetic energy of the particles of this system is estimated by three methods, and the ratio of the kinetic energy to the absolute value of the energy of forces, binding the particles, is determined, which is approximately equal to 0.6. For simple systems in classical mechanics, this ratio equals 0.5. The difference between these ratios arises by the consideration of the pressure field and acceleration field inside the bodies, which make additional contribution to the acceleration of the particles. It is found that the total time derivative of the system's virial is not equal to zero, as is assumed in classical mechanics for systems with potential fields. This is due to the fact that although the partial time derivative of the virial for stationary systems tends to zero, but in real bodies the virial also depends on the coordinates and the convective derivative of the virial, as part of the total time derivative inside the body, is not equal to zero. It is shown that the convective derivative is also necessary for correct description of the equations of motion of particles.
NASA Astrophysics Data System (ADS)
Fedosin, Sergey G.
2017-03-01
The virial theorem is considered for a system of randomly moving particles that are tightly bound to each other by the gravitational and electromagnetic fields, acceleration field and pressure field. The kinetic energy of the particles of this system is estimated by three methods, and the ratio of the kinetic energy to the absolute value of the energy of forces, binding the particles, is determined, which is approximately equal to 0.6. For simple systems in classical mechanics, this ratio equals 0.5. The difference between these ratios arises by the consideration of the pressure field and acceleration field inside the bodies, which make additional contribution to the acceleration of the particles. It is found that the total time derivative of the system's virial is not equal to zero, as is assumed in classical mechanics for systems with potential fields. This is due to the fact that although the partial time derivative of the virial for stationary systems tends to zero, but in real bodies the virial also depends on the coordinates and the convective derivative of the virial, as part of the total time derivative inside the body, is not equal to zero. It is shown that the convective derivative is also necessary for correct description of the equations of motion of particles.
Varela-Alvarez, Adrian; Sordo, Jose A.; Rayon, V. M.; Redondo, P.; Barrientos, C.
2009-10-14
The gas-phase reaction between calcium monocation and fluoromethane: Ca{sup +}+CH{sub 3}F{yields}CaF{sup +}+CH{sub 3} was theoretically analyzed. The potential energy hypersurface was explored by using density functional theory methodology with different functionals and Pople's, Dunning's, Ahlrichs', and Stuttgart-Dresden basis sets. Kinetics calculations (energy and total angular momentum resolved microcanonical variational/conventional theory) were accomplished. The theoretically predicted range for the global kinetic rate constant values at 295 K (7.2x10{sup -11}-5.9x10{sup -10} cm{sup 3} molecule{sup -1} s{sup -1}) agrees reasonably well with the experimental value at the same temperature [(2.6{+-}0.8)x10{sup -10} cm{sup 3} molecule{sup -1} s{sup -1}]. Explicit consideration of a two transition state model, where the formation of a weakly bounded prereactive complex is preceded by an outer transition state (entrance channel) and followed by an inner transition state connecting with a second intermediate that finally leads to products, is mandatory. Experimental observations on the correlation, or lack of correlation, between reaction rate constants and second ionization energies of the metal might well be rationalized in terms of this two transition state model.
NASA Astrophysics Data System (ADS)
Nyakuma, Bemgba Bevan
2015-12-01
This study seeks to characterize the thermochemical fuel properties of melon seed husk (MSH) as a potential biomass feedstock for clean energy and power generation. It examined the ultimate analysis, proximate analysis, FTIR spectroscopy and thermal decomposition of MSH. Thermogravimetric (TG) analysis was examined at 5, 10, 20 °C/min from 30-800 °C under nitrogen atmosphere. Subsequently, the Distributed Activation Energy Model (DAEM) was applied to determine the activation energy, E, and frequency factor, A. The results revealed that thermal decomposition of MSH occurs in three (3) stages; drying (30-150 °C), devolatization (150-400 °C) and char degradation (400-800 °C). Kinetic analysis revealed that the E values fluctuated from 145.44-300 kJ/mol (Average E = 193 kJ/mol) while A ranged from 2.64 × 1010 to 9.18 × 1020 min-1 (Average E = 9.18 × 1019 min-1) highlighting the complexity of MSH pyrolysis. The fuel characterization and kinetics of MSH showed it is an environmentally friendly solid biofuel for future thermal biomass conversion.
NASA Astrophysics Data System (ADS)
Yang, Zhangcan; Lively, Michael A.; Allain, Jean Paul
2015-02-01
The production of self-organized nanostructures by ion beam sputtering has been of keen interest to researchers for many decades. Despite numerous experimental and theoretical efforts to understand ion-induced nanostructures, there are still many basic questions open to discussion, such as the role of erosion or curvature-dependent sputtering. In this work, a hybrid MD/kMC (molecular dynamics/kinetic Monte Carlo) multiscale atomistic model is developed to investigate these knowledge gaps, and its predictive ability is validated across the experimental parameter space. This model uses crater functions, which were obtained from MD simulations, to model the prompt mass redistribution due to single-ion impacts. Defect migration, which is missing from previous models that use crater functions, is treated by a kMC Arrhenius method. Using this model, a systematic study was performed for silicon bombarded by Ar+ ions of various energies (100 eV, 250 eV, 500 eV, 700 eV, and 1000 eV) at incidence angles of 0∘ to 80∘. The simulation results were compared with experimental findings, showing good agreement in many aspects of surface evolution, such as the phase diagram. The underestimation of the ripple wavelength by the simulations suggests that surface diffusion is not the main smoothening mechanism for ion-induced pattern formation. Furthermore, the simulated results were compared with moment-description continuum theory and found to give better results, as the simulation did not suffer from the same mathematical inconsistencies as the continuum model. The key finding was that redistributive effects are dominant in the formation of flat surfaces and parallel-mode ripples, but erosive effects are dominant at high angles when perpendicular-mode ripples are formed. Ion irradiation with simultaneous sample rotation was also simulated, resulting in arrays of square-ordered dots. The patterns obtained from sample rotation were strongly correlated to the rotation speed and to
Kinetic energy release distributions for C+2 emission from multiply charged C60 and C70 fullerenes
NASA Astrophysics Data System (ADS)
Cederquist, H.; Haag, N.; Berényi, Z.; Reinhed, P.; Fischer, D.; Gudmundsson, M.; Johansson, H. A. B.; Schmidt, H. T.; Zettergren, H.
2009-04-01
We present a systematic study of experimental kinetic energy release distributions for the asymmetric fission processes Cq+60 → C(iq-1<)+70+ C+2 and Cq+70 → C(q-1)+60+ C+2 for mother ions in charge states q = 4-8 produced in collisions with slow highly charged ions. Somewhat to our surprise, we find that the KERD for asymmetric fission from Cq+60 are considerably wider and have larger most likely values than the Cq+70 distributions in the corresponding charge states when q > 4.
NASA Astrophysics Data System (ADS)
Ivanov, V. N.
1996-09-01
An analysis is made of the process of transferring the kinetic energy of highly excited vibrational terms of a molecule to an electronic state of one of its constituent atoms. This is done by utilizing a wave equation for the effective wave functions of the atom, corresponding to mixed states, in which the velocity of this atom relative to the neighboring atoms in the molecule enters as a parameter. An expression is found for the excitation probability in the case of a hydroge-like atom in the resonant approximation.
Sato, Tatsuhiko; Furusawa, Yoshiya
2012-10-01
Estimation of the survival fractions of cells irradiated with various particles over a wide linear energy transfer (LET) range is of great importance in the treatment planning of charged-particle therapy. Two computational models were developed for estimating survival fractions based on the concept of the microdosimetric kinetic model. They were designated as the double-stochastic microdosimetric kinetic and stochastic microdosimetric kinetic models. The former model takes into account the stochastic natures of both domain and cell nucleus specific energies, whereas the latter model represents the stochastic nature of domain specific energy by its approximated mean value and variance to reduce the computational time. The probability densities of the domain and cell nucleus specific energies are the fundamental quantities for expressing survival fractions in these models. These densities are calculated using the microdosimetric and LET-estimator functions implemented in the Particle and Heavy Ion Transport code System (PHITS) in combination with the convolution or database method. Both the double-stochastic microdosimetric kinetic and stochastic microdosimetric kinetic models can reproduce the measured survival fractions for high-LET and high-dose irradiations, whereas a previously proposed microdosimetric kinetic model predicts lower values for these fractions, mainly due to intrinsic ignorance of the stochastic nature of cell nucleus specific energies in the calculation. The models we developed should contribute to a better understanding of the mechanism of cell inactivation, as well as improve the accuracy of treatment planning of charged-particle therapy.
del Campillo, Elena; Lewis, Lowell N.
1992-01-01
A two-dimensional gel electrophoresis system that combines a cationic polyacrylamide gel electrophoresis at pH near neutrality with sodium dodecyl sulfate-polyacrylamide gel electrophoresis was used to analyze the spectrum of basic polypeptides that accumulate in bean (Phaseolus vulgaris) abscission zones after treatment with ethylene. Results showed that, as abscission progressed, at least seven basic proteins accumulated in the abscission zone prior to the accumulation of 9.5 cellulase. Six of the seven proteins correspond to pathogenesis-related (PR) proteins. Among them, two isoforms of β-1,3-glucanase and multiple isoforms of chitinase were identified. A 22 kilodalton polypeptide that accumulated to high levels was identified as a thaumatin-like protein by analysis of its N-terminal sequence (up to 20 amino acids) and its serological relationship with heterologous thaumatin antibodies. A 15 kilodalton polypeptide serologically related to PR P1 (p14) from tomato was identified as bean PR P1 (p14)-like protein. The kinetics of accumulation of glucanases, chitinases, thaumatin-like and PR P1 (p14)-like proteins during ethylene treatment were similar and they showed that PR proteins accumulated in abscission zones prior to the increase in 9.5 cellulase. Addition of indoleacetic acid, a potent inhibitor of abscission, reduced the accumulation of these proteins to a similar extent (60%). The synchronized accumulation of this set of PR proteins, early in the abscission process, may play a role in induced resistance to possible fungal attack after a plant part is shed. The seventh protein does not correspond to any previously characterized PR protein. This new 45 kilodalton polypeptide accumulated in abscission zones on exposure to ethylene concomitantly with the increase in 9.5 cellulase. Its N-terminal sequence (up to 15 amino acids) showed some homology with the amino terminal sequence of chitinase. Polyclonal antibodies against chitinase recognized the 45
The folding kinetics of the SDS-induced molten globule form of reduced cytochrome c.
Chen, Eefei; Van Vranken, Vanessa; Kliger, David S
2008-05-13
The folding of reduced cytochrome c (redcyt c) is increasingly being recognized as undergoing a mechanism that deviates from a two-state process. In previous far-UV TRORD studies of redcyt c folding, a rapidly forming intermediate was attributed to the appearance of a molten-globule-like (MG) state [Chen, E., Goldbeck, R. A., and Kliger, D. S. (2003) J. Phys. Chem. A 107, 8149-8155]. A slow folding phase (>1 ms) was identified with the formation of native (N) secondary structure from that MG form. Here, using 0.65 mM SDS to induce the MG state in oxidized cytochrome c, folding of redcyt c was triggered with fast photoreduction and probed from early microseconds to milliseconds using far-UV TRORD spectroscopy. The kinetics of the reaction are described with a time constant of 50 +/- 16 ms, which corresponds to 1 +/- 0.6 ms upon extrapolation of the data to zero SDS concentration. The latter folding time is about 5 times faster than the calculated GuHCl-free time constant of 5.5 +/- 1.4 ms for slow-phase folding obtained in our previous study. This ratio of rates would be consistent with a scenario in which 20-30% MG that is suggested to form in the fast phase of redcyt c folding in GuHCl is an obligatory intermediate. The native state forms from this obligatory intermediate with an observed rate, k(f) = fk(G-->N) where f is the fractional population of MG and k(G-->N) is the microscopic rate for MG --> N. Calculation and comparison of the m(#)/m values show agreement within the uncertainties between the SDS ( approximately 0.5) and GuHCl ( approximately 0.3) based redcyt c folding experiments, suggesting that the two experiments report on comparable intermediates. The m values were obtained from far-UV CD SDS titration experiments, from which calculated thermodynamic parameters allowed estimation of the reduction potential for the MG state to be approximately 155 mV (-15 kJ/mol) vs NHE which, like the reduction potential for the native state, is more favorable than
A Study on the Kinetics of a Disorder-to-Order Transition Induced by Alkyne/Azide Click Reaction
X Wei; L Li; J Kalish; W Chen; T Russell
2011-12-31
The