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At least 289 records · Page 16

Rates of adsorption and desorption: Entropic contributions and errors due to mean-field approximations

We have performed exact classical rate calculations to compute adsorption and desorption rate constants with a model representative of a real system. We compute the desorption rate using transition-state theory by taking the dividing-surface far from the surface of the solid. We find that using a mean-field assumption, i.e., applying potential of mean force to transition state theory, could lead to two orders-of-magnitude errors in the rate constant owing to large fluctuations in the desorption barrier. Furthermore, we compute the adsorption rate by including a dynamical factor which reflects the probability of sticking to the solid surface. We find that the sticking probability is highly sensitive to the coverage. Also, we find that the adsorption rate computed from the mean-field assumption is not very different from the exact adsorption rate. We also compute entropic contribution to desorption rates and compare it to that obtained from two limiting models of adsorption—2D ideal gas and 2D ideal lattice gas. We show that at high temperatures (700 K), the entropic contribution to desorption rates computed from the exact calculations is very close to that obtained from the 2D ideal gas model. However, for lower to intermediate temperatures from 200 K to 500 K, the entropic contributions cover a wide range which lies in between the two limiting models and could lead to over two-orders-of-magnitude errors in the rate coefficient.

Activation energies↗

Error metrics for partially coherent wave fields

Lensless imaging methods that account for partial coherence have become very common in the past decade. However, there are no metrics in use for comparing partially coherent light fields, despite the widespread use of such metrics to compare fully coherent objects and wave fields. Here, we show how reformulating the mean squared error and Fourier ring correlation in terms of quantum state fidelity naturally generalizes them to partially coherent wave fields. We report these results fill an important gap in the lensless imaging literature and will enable quantitative assessments of the reliability and resolution of reconstructed partially coherent wave fields.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Divergence Free High Order Filter Methods for the Compressible MHD Equations

The generalization of a class of low-dissipative high order filter finite difference methods for long time wave propagation of shock/turbulence/combustion compressible viscous gas dynamic flows to compressible MHD equations for structured curvilinear grids has been achieved. The new scheme is shown to provide a natural and efficient way for the minimization of the divergence of the magnetic field numerical error. Standard diver- gence cleaning is not required by the present filter approach. For certain MHD test cases, divergence free preservation of the magnetic fields has been achieved.

Yea, H. C.↗

Design of 3x3 Focusing Array for Heavy Ion Driver Final Report on CRADA TC-02082-04

This memo presents a design of a 3x3 quadrupole array for HIF. It contains 3 D magnetic field computations of the array build with racetrack coils with and without different shields. It is shown that it is possible to have a low error magnetic field in the cells and shield the stray fields to acceptable levels. The array design seems to be a practical solution to any size array for future multi-beam heavy ion fusion drivers.

42 ENGINEERING↗

High Order Filter Methods for the Non-ideal Compressible MHD Equations

The generalization of a class of low-dissipative high order filter finite difference methods for long time wave propagation of shock/turbulence/combustion compressible viscous gas dynamic flows to compressible MHD equations for structured curvilinear grids has been achieved. The new scheme is shown to provide a natural and efficient way for the minimization of the divergence of the magnetic field numerical error. Standard divergence cleaning is not required by the present filter approach. For certain non-ideal MHD test cases, divergence free preservation of the magnetic fields has been achieved.

Yee, H. C.↗

SU-F-T-310: Does a Head-Mounted Ionization Chamber Detect IMRT Errors?

Purpose: The conventional plan verification strategy is delivering a plan to a QA-phantom before the first treatment. Monitoring each fraction of the patient treatment in real-time would improve patient safety. We evaluated how well a new detector, the IQM (iRT Systems, Germany), is capable of detecting errors we induced into IMRT plans of three different treatment regions. Results were compared to an established phantom. Methods: Clinical plans of a brain, prostate and head-and-neck patient were modified in the Pinnacle planning system, such that they resulted in either several percent lower prescribed doses to the target volume or several percent higher doses to relevant organs at risk. Unaltered plans were measured on three days, modified plans once, each with the IQM at an Elekta Synergy with an Agility MLC. All plans were also measured with the ArcCHECK with the cavity plug and a PTW semiflex 31010 ionization chamber inserted. Measurements were evaluated with SNC patient software. Results: Repeated IQM measurements of the original plans were reproducible, such that a 1% deviation from the mean as warning and 3% as action level as suggested by the manufacturer seemed reasonable. The IQM detected most of the simulated errors including wrong energy, a faulty leaf, wrong trial exported and a 2 mm shift of one leaf bank. Detection limits were reached for two plans - a 2 mm field position error and a leaf bank offset combined with an MU change. ArcCHECK evaluation according to our current standards also left undetected errors. Ionization chamber evaluation alone would leave most errors undetected. Conclusion: The IQM detected most errors and performed as well as currently established phantoms with the advantage that it can be used throughout the whole treatment. Drawback is that it does not indicate the source of the error.

60 APPLIED LIFE SCIENCES↗

On the reach of perturbative methods for dark matter density fields

We study the mapping from Lagrangian to Eulerian space in the context of the Effective Field Theory (EFT) of Large Scale Structure. We compute Lagrangian displacements with Lagrangian Perturbation Theory (LPT) and perform the full non-perturbative transformation from displacement to density. When expanded up to a given order, this transformation reproduces the standard Eulerian Perturbation Theory (SPT) at the same order. However, the full transformation from displacement to density also includes higher order terms. These terms explicitly resum long wavelength motions, thus making the resulting density field better correlated with the true non-linear density field. As a result, the regime of validity of this approach is expected to extend that of the Eulerian EFT, and match that of the IR-resummed Eulerian EFT. This approach thus effectively enables a test of the IR-resummed EFT at the field level. We estimate the size of stochastic, non-perturbative contributions to the matter density power spectrum. We find that in our highest order calculation, at redshift z = 0 the power spectrum of the density field is reproduced with an accuracy of 1% (10%) up to k = 0.25 hMpc{sup −1} (k = 0.46 hMpc{sup −1}). We believe that the dominant source of the remaining error is the stochastic contribution. Unfortunately, on these scales the stochastic term does not yet scale as k{sup 4} as it does in the very low k regime. Thus, modeling this contribution might be challenging.

79 ASTRONOMY AND ASTROPHYSICS↗

Instantaneous Io flux tube as the source of Jovian DAM - Possible second harmonic emissions

To determine if the source of the Jovian Io-dependent DAM (decametric) emission is along the instantaneous Io flux tube (IIFT), the results of ray-tracing calculations are compared with radio emission data obtained by the Planetary Radio Astronomy instruments on Voyager 1 and 2. RX mode gyroemission at frequencies near the local gyrofrequency and sources along field lines within the active sector between 150 and 270 deg longitude are assumed. The results indicate good agreement with the observations if the source is within 20 deg of the IIFT, but the maximum gyrofrequency of the model magnetic field is smaller than the observed maximum frequency of the DAM for the assumed active field line. While errors in the magnetic-field model coupled with emission at large Doppler shift might explain this discrepancy, a more natural explanation is that the higher-frequency component of the DAM is due to second-harmonic gyroemission.

Menietti, J. D.↗

Test of the principle of operation of a wideband magnetic direction finder for lightning return strokes

The principle of operation of a wideband crossed-loop magnetic-field direction finder is studied by comparing the bearing determined from the NS and EW magnetic fields at various times up to 155 microsec after return stroke initiation with the TV-determined lightning channel base direction. For 40 lightning strokes in the 3 to 12 km range, the difference between the bearings found from magnetic fields sampled at times between 1 and 10 microsec and the TV channel-base data has a standard deviation of 3-4 deg. Included in this standard deviation is a 2-3 deg measurement error. For fields sampled at progressively later times, both the mean and the standard deviation of the difference between the direction-finder bearing and the TV bearing increase. Near 150 microsec, means are about 35 deg and standard deviations about 60 deg. The physical reasons for the late-time inaccuracies in the wideband direction finder and the occurrence of these effects in narrow-band VLF direction finders are considered.

Herrman, B. D.↗

Wavelet Approximation in Data Assimilation

Estimation of the state of the atmosphere with the Kalman filter remains a distant goal because of high computational cost of evolving the error covariance for both linear and nonlinear systems. Wavelet approximation is presented here as a possible solution that efficiently compresses both global and local covariance information. We demonstrate the compression characteristics on the the error correlation field from a global two-dimensional chemical constituent assimilation, and implement an adaptive wavelet approximation scheme on the assimilation of the one-dimensional Burger's equation. In the former problem, we show that 99%, of the error correlation can be represented by just 3% of the wavelet coefficients, with good representation of localized features. In the Burger's equation assimilation, the discrete linearized equations (tangent linear model) and analysis covariance are projected onto a wavelet basis and truncated to just 6%, of the coefficients. A nearly optimal forecast is achieved and we show that errors due to truncation of the dynamics are no greater than the errors due to covariance truncation.

Tangborn, Andrew↗

GRACE: millimeters and microns in orbit

The Gravity Recovery and Climate Experiment launched March 17, 2002. The GPS data for this experiment are processed to contribute to the recover long wavelength gravity field; remove errors due to long term on-board oscillator drift; and align K/Ka-band measurments between the two spacecraft to 0.1 ns. This paper will concentrate on the use of GPS for these timing and calibration functions and will not address the recovery of the gravity field.

GRACE GPS K/Ka-band↗

A preliminary error analysis of the gravity field recovery from a lunar Satellite-to-Satellite mission

A low cost lunar Satellite-to-Satellite radio tracking mission in a low-low configuration could considerably improve the existing knowledge about the lunar gravity field. The impact of various mission parameters that may contribute to the recovery of the gravity field, such as satellite altitude, satellite separation mission duration, measurement precision and sampling interval were quantified using the Jekeli-Rapp algorithm. Preliminary results indicate that the gravity field resolution up to harmonic degree 40 to 80 is feasible depending on various mission configurations. Radio tracking data from a six-month mission with a precision of 1 mm/s every 10 s and 300 km satellite separation at 150 km altitude will permit the determination of 5 deg x 5 deg mean gravity anomalies with an error of approximately 15 mgals. Consideration of other unaccounted error sources of instrumental, operational, and environmental nature may lower this resolution.

Iz, Huseyin B.↗

Software error detection

Several methods were employed to detect both the occurrence and source of errors in the operational software of the AN/SLQ-32. A large embedded real time electronic warfare command and control system for the ROLM 1606 computer are presented. The ROLM computer provides information about invalid addressing, improper use of privileged instructions, stack overflows, and unimplemented instructions. Additionally, software techniques were developed to detect invalid jumps, indices out of range, infinte loops, stack underflows, and field size errors. Finally, data are saved to provide information about the status of the system when an error is detected. This information includes I/O buffers, interrupt counts, stack contents, and recently passed locations. The various errors detected, techniques to assist in debugging problems, and segment simulation on a nontarget computer are discussed. These error detection techniques were a major factor in the success of finding the primary cause of error in 98% of over 500 system dumps.

Buechler, W.↗

Guaranteed Quality Conformal Mesh Decomposition.

Interface-conforming elements generated by the conformal decomposition finite element method can have arbitrarily poor quality due to the arbitrary intersection of the base triangular or tetrahedral mesh with material interfaces. This can have severe consequences for both the solvability of linear systems and for the interpolation error of fields represented on these meshes. The present work demonstrates that snapping the base mesh nodes to the interface whenever the interface cuts close to a node results in conforming meshes of good quality. Theoretical limits on the snapping tolerance are derived, and even conservative tolerance choices result in limiting the stiffness matrix condition number to within a small multiple of that of the base mesh. Interpolation errors are also well controlled in the norms of interest. In 3D, use of node-to-interface snapping also permits a simpler and more robust vertex ID-based element decomposition algorithm to be used with no serious detriment to mesh quality.

42 ENGINEERING↗

Dynamic Aperture and Tolerances for PEP-X Ultimate Storage Ring Design

A lattice for the PEP-X ultimate storage ring light source, having 11 pm-rad natural emittance at a beam energy of 4.5 GeV at zero current, using 90 m of damping wiggler and fitting into the existing 2.2-km PEP-II tunnel, has been recently designed. Such a low emittance lattice requires very strong sextupoles for chromaticity correction, which in turn introduce strong non-linear field effects that limit the beam dynamic aperture. In order to maximize the dynamic aperture we choose the cell phases to cancel the third and fourth order geometric resonances in each 8-cell arc. Four families of chromatic sextupoles and six families of geometric (or harmonic) sextupoles are added to correct the chromatic and amplitude-dependent tunes. To find the best settings of the ten sextupole families, we use a Multi-Objective Genetic Optimizer employing elegant to optimize the beam lifetime and dynamic aperture simultaneously. Then we evaluate dynamic aperture reduction caused by magnetic field multipole errors, magnet fabrication errors and misalignments. A sufficient dynamic aperture is obtained for injection, as well as workable beam lifetime.

43 PARTICLE ACCELERATORS↗

Hex-square moire patterns in imagers using microchannel plates

In electronic imaging detectors using microchannel plates, the mismatch between the pixels on a square mesh and the microchannels on a hexagonal mesh produces moire image defects. Theoretical statistical estimates of the sizes of the microposition offsets and the flat field intensity errors are calculated, showing the trade-off between resolution and position accuracy. A distinction is made between moments of spot images and moments of the single-pixel-response functions. As the resolution between the hex and square meshes is improved, the detector resolution is improved, but at the expense of an about 10 percent moire pattern. These moire patterns will not be properly corrected by dividing by the flat field image.

Lawrence, George M.↗

Uncertainty Quantification for Monte Carlo simulations - Paper 18

Uncertainty quantification (UQ) generally speaking refers to a wide variety of specific problems, also pertaining different scientific areas: then studies on Uncertainty Quantification involve many different methodologies, techniques and even terminologies: to be specific we are interested in studying how uncertainties on input physical data needed for Monte Carlo simulations transfer into uncertainties on the physical output of the simulation. We mention that other sources of uncertainty are be present in a simulation environment: they can be ascribed either to model inadequacy (for instance when one neglects atomic lattice at very low energies) or to the numerical procedure involved: for the case of MC simulation the latter corresponds to the statistical error affecting the simulation itself. So in general parameter uncertainties are mixed with other kind of uncertainties. The problem then remains seemingly quite complicated, even in this more specific domain: moreover we should better specify the meaning of the rather undetermined words physical data needed for Monte Carlo simulation. In fact they may refer both those data needed to specify the experimental setup that is going to be simulated - like, e.g., geometrical or composition data, but including also some external conditions applied to the system, like temperature, pressure, electromagnetic fields and so on - and physical data - cross sections or often physical models - required to describe particle transport. All these data are generally affected by uncertainties, which through the process of simulation transfer into uncertainty on its physical outcome. Then, from the MC user's own perspective, input data refers both to those that are under his direct experimental control and to many others, whose values and uncertainties will affect the result of the simulation. In this contribution we will summarize previous results, together with some new ones. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗