Semiclassical transition probabilities by an asymptotic evaluation of the S matrix for elastic and inelastic collisions. Bessel uniform approximation

It has been observed in the past that the usual Airy uniform approximation gives probabilities greater than one, especially for near elastic collisions. By mapping the phase onto −ζ cos y + ky + A rather than (1∕3)y^3 − ζy + A one obtains a uniform approximation involving Bessel functions of the first kind, which approaches unity for the elastic collision. This Bessel uniform approximation is no more complicated than the Airy and also gives good agreement with exact quantum results, even if probabilities are large

Intramolecular dynamics. I. Curvilinear normal modes, local modes, molecular anharmonic Hamiltonian, and application to benzene

The Hamiltonian based on curvilinear normal modes and local modes (CNLM) is discussed using Wilson's exact vibrational Hamiltonian as basis, the CNLM representation diagonalizing only the normal mode block of FG matrix in curvilinear internal coordinates. Using CNLM the kinetic and potential energy operators for benzene are given, including cubic and quartic anharmonicity in the potential energy and cubic and quartic terms in the kinetic energy expansion in curvilinear coordinates. Using symmetrized coordinates and cubic and higher force constants the number and identity of the independent symmetry allowed (A1g) such force constants are obtained. The relation to conventional anharmonic force constants is then given and the allowed contributions of the latter are obtained. The results are applied to CH overtone spectra and intramolecular vibrational dynamics in Part III of this series

Building Proteins in a Day: Efficient 3D Molecular Reconstruction

Discovering the 3D atomic structure of molecules such as proteins and viruses is a fundamental research problem in biology and medicine. Electron Cryomicroscopy (Cryo-EM) is a promising vision-based technique for structure estimation which attempts to reconstruct 3D structures from 2D images. This paper addresses the challenging problem of 3D reconstruction from 2D Cryo-EM images. A new framework for estimation is introduced which relies on modern stochastic optimization techniques to scale to large datasets. We also introduce a novel technique which reduces the cost of evaluating the objective function during optimization by over five orders or magnitude. The net result is an approach capable of estimating 3D molecular structure from large scale datasets in about a day on a single workstation.Comment: To be presented at IEEE Conference on Computer Vision and Pattern Recognition (CVPR) 201

Representation in the classroom: The effect of own-race teachers on student achievement

Previous research suggests that there are academic benefits when students and teachers share the same race/ethnicity because such teachers can serve as role models, mentors, advocates, or cultural translators. In this paper, we obtain estimates of achievement changes as students are assigned to teachers of different races/ethnicities from grades 3 through 10 utilizing a large administrative dataset provided by the Florida Department of Education that follows the universe of test-taking students in Florida public schools from 2001–2002 through 2008–2009. We find small but significant positive effects when black and white students are assigned to race-congruent teachers in reading (.004–.005 standard deviations) and for black, white and Asian/Pacific Island students in math (.007–.041 standard deviations). We also examine the effects of race matching by students' prior performance level, finding that lower-performing black and white students appear to particularly benefit from being assigned to a race-congruent teacher.http://sites.bu.edu/marcuswinters/files/2017/09/Egalite-et-al-2015-FLTM_EER.pdfAccepted manuscrip

Finite element analysis of fluid-filled elastic piping systems

Two finite element procedures are described for predicting the dynamic response of general 3-D fluid-filled elastic piping systems. The first approach, a low frequency procedure, models each straight pipe or elbow as a sequence of beams. The contained fluid is modeled as a separate coincident sequence axial members (rods) which are tied to the pipe in the lateral direction. The model includes the pipe hoop strain correction to the fluid sound speed and the flexibility factor correction to the elbow flexibility. The second modeling approach, an intermediate frequency procedure, follows generally the original Zienkiewicz-Newton scheme for coupled fluid-structure problems except that the velocity potential is used as the fundamental fluid unknown to symmetrize the coefficient matrices. From comparisons of the beam model predictions to both experimental data and the 3-D model, the beam model is validated for frequencies up to about two-thirds of the lowest fluid-filled labor pipe mode. Accurate elbow flexibility factors are seen to be crucial for effective beam modeling of piping systems

Initial value representation for the SU(n) semiclassical propagator

The semiclassical propagator in the representation of SU(n) coherent states is characterized by isolated classical trajectories subjected to boundary conditions in a doubled phase space. In this paper we recast this expression in terms of an integral over a set of initial-valued trajectories. These trajectories are monitored by a filter that collects only the appropriate contributions to the semiclassical approximation. This framework is suitable for the study of bosonic dynamics in n modes with fixed total number of particles. We exemplify the method for a Bose-Einstein condensate trapped in a triple-well potential, providing a detailed discussion on the accuracy and efficiency of the procedure.Comment: 24 pages, 6 figure

Effect of a moderate-intensity demonstration walk on accuracy of physical activity self-report.

Background/Objective:Providing a demonstration of a 10-minute bout of moderate-to-vigorous intensity physical activity (MVPA) immediately prior to subjective reporting of MVPA could influence self-reported activity by calibrating both duration and intensity. We assessed the effect of a demonstration of MVPA on subsequent MVPA recall, and explored whether this improved agreement with objective measures of MVPA. Methods:A total of 846 individuals participated in four different physical activity interventions; two of which included a 10-minute moderate-intensity demonstration walk on a treadmill at baseline and 6-month visits immediately prior to reporting MVPA. Participants from three studies also wore accelerometers during the week overlapping with self-reported MVPA. Results:Overall, those completing the demonstration walk reported significantly fewer minutes of MVPA per week at baseline (b = -11.69, standard error = 2.53, p < 0.01). The effect of the demonstration walk at 6 months was not significant (p = 0.06). Correlations with accelerometers at baseline were higher in the two studies with the demonstration walk (ρ = 0.28, 0.26) than the study without (ρ = 0.04). Correlations with accelerometers increased overall from baseline to follow-up. Conclusion:A 10-minute demonstration of MVPA was associated with reporting fewer minutes of MVPA and improved agreement with objective PA measures at baseline. These findings support combining self-report PA assessments with hands-on MVPA demonstrations

Sensing human hand motions for controlling dexterous robots

The Dexterous Hand Master (DHM) system is designed to control dexterous robot hands such as the UTAH/MIT and Stanford/JPL hands. It is the first commercially available device which makes it possible to accurately and confortably track the complex motion of the human finger joints. The DHM is adaptable to a wide variety of human hand sizes and shapes, throughout their full range of motion

Aberrations in shift-invariant linear optical imaging systems using partially coherent fields

Here the role and influence of aberrations in optical imaging systems employing partially coherent complex scalar fields is studied. Imaging systems require aberrations to yield contrast in the output image. For linear shift-invariant optical systems, we develop an expression for the output cross-spectral density under the space-frequency formulation of statistically stationary partially coherentfields. We also develop expressions for the output cross{spectral density and associated spectral density for weak-phase, weak-phase-amplitude, and single-material objects in one transverse spatial dimension