Dynamical Multiple-Timestepping Methods for Overcoming the Half-Period Time Step Barrier

Current molecular dynamic simulations of biomolecules using multiple time steps to update the slowingly changing force are hampered by an instability occuring at time step equal to half the period of the fastest vibrating mode. This has became a critical barrier preventing the long time simulation of biomolecular dynamics. Attemps to tame this instability by altering the slowly changing force and efforts to damp out this instability by Langevin dynamics do not address the fundamental cause of this instability. In this work, we trace the instability to the non-analytic character of the underlying spectrum and show that a correct splitting of the Hamiltonian, which render the spectrum analytic, restores stability. The resulting Hamiltonian dictates that in additional to updating the momentum due to the slowly changing force, one must also update the position with a modified mass. Thus multiple-timestepping must be done dynamically.Comment: 10 pages, 2 figures, submitted to J. Chem. Phy

Signatures of Energy Flux in Particle Production: A Black Hole Birth Cry and Death Gasp

It is recently argued that if the Hawking radiation process is unitary, then a black hole's mass cannot be monotonically decreasing. We examine the time dependent particle count and negative energy flux in the non-trivial conformal vacuum via the moving mirror approach. A new, exactly unitary solution is presented which emits a characteristic above-thermal positive energy burst, a thermal plateau, and negative energy flux. It is found that the characteristic positive energy flare and thermal plateau is observed in the particle outflow. However, the results of time dependent particle production show no overt indication of negative energy flux. Therefore, a black hole's birth cry is detectable by asymptotic observers via particle count, whereas its death gasp is not.Comment: 12 pages, 6 figure

Fourth Order Gradient Symplectic Integrator Methods for Solving the Time-Dependent Schr\"odinger Equation

We show that the method of splitting the operator ${\rm e}^{\epsilon(T+V)}$ to fourth order with purely positive coefficients produces excellent algorithms for solving the time-dependent Schr\"odinger equation. These algorithms require knowing the potential and the gradient of the potential. One 4th order algorithm only requires four Fast Fourier Transformations per iteration. In a one dimensional scattering problem, the 4th order error coefficients of these new algorithms are roughly 500 times smaller than fourth order algorithms with negative coefficient, such as those based on the traditional Ruth-Forest symplectic integrator. These algorithms can produce converged results of conventional second or fourth order algorithms using time steps 5 to 10 times as large. Iterating these positive coefficient algorithms to 6th order also produced better converged algorithms than iterating the Ruth-Forest algorithm to 6th order or using Yoshida's 6th order algorithm A directly.Comment: 11 pages, 2 figures, submitted to J. Chem. Phy

Speech intelligibility and prosody production in children with cochlear implants

Objectives—The purpose of the current study was to examine the relation between speech intelligibility and prosody production in children who use cochlear implants. Methods—The Beginner\u27s Intelligibility Test (BIT) and Prosodic Utterance Production (PUP) task were administered to 15 children who use cochlear implants and 10 children with normal hearing. Adult listeners with normal hearing judged the intelligibility of the words in the BIT sentences, identified the PUP sentences as one of four grammatical or emotional moods (i.e., declarative, interrogative, happy, or sad), and rated the PUP sentences according to how well they thought the child conveyed the designated mood. Results—Percent correct scores were higher for intelligibility than for prosody and higher for children with normal hearing than for children with cochlear implants. Declarative sentences were most readily identified and received the highest ratings by adult listeners; interrogative sentences were least readily identified and received the lowest ratings. Correlations between intelligibility and all mood identification and rating scores except declarative were not significant. Discussion—The findings suggest that the development of speech intelligibility progresses ahead of prosody in both children with cochlear implants and children with normal hearing; however, children with normal hearing still perform better than children with cochlear implants on measures of intelligibility and prosody even after accounting for hearing age. Problems with interrogative intonation may be related to more general restrictions on rising intonation, and th

Molecular First Hyperpolarizabilities of a New Class of Asymmetric Squaraine Dyes

The molecular first hyperpolarizabilities (β) of a series of asymmetric squaraine dyes have been measured by electric-field-induced second harmonic generation; the dyes have negative β-values whose magnitudes are comparable to 4-N,N-dimethylamino-4′-nitrostilbene (DANS)

Exact evolution of time-reversible symplectic integrators and their phase error for the harmonic oscillator

The evolution of any factorized time-reversible symplectic integrators, when applied to the harmonic oscillator, can be exactly solved in a closed form. The resulting modified Hamiltonians demonstrate the convergence of the Lie series expansions. They are also less distorted than modified Hamiltonian of non-reversible algorithms. The analytical form for the modified angular frequency can be used to assess the phase error of any time-reversible algorithm.Comment: Submitted to Phys. Lett. A, Six Pages two Column

LAMMR world data base documentation support and demonstrations

The primary purpose of the World Surface Map is to provide the LAMMR subsystem with world surface type classifications that are used to set up LAMMR LEVEL II process control. This data base will be accessed solely by the LAMMR subsystem. The SCATT and ALT subsystems will access the data base indirectly through the T sub b (Brightness Temperature) Data Bank, where the surface types were updated from a priori to current classification, and where the surface types were organized on an orbital subtrack basis. The single most important factor in the design of the World Surface Maps is the ease of access to the information while the complexity of generating these maps is of lesser importance because their generation is a one-time, off-line process. The World Surface Map provides storage of information with a resolution of 7 km necessary to set flags concerning the earth's features with a different set of maps for each month of the year