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Physics & Astronomy Faculty Publications

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Full-Text Articles in Physics

Probing Molecular Free Energy Landscapes By Periodic Loading, Oliver Braun, Andreas Hanke, Udo Seifert Jan 2004

Probing Molecular Free Energy Landscapes By Periodic Loading, Oliver Braun, Andreas Hanke, Udo Seifert

Physics & Astronomy Faculty Publications

Single molecule pulling experiments provide information about interactions in biomolecules that cannot be obtained by any other method. However, the reconstruction of the molecule’s free energy profile from the experimental data is still a challenge, in particular, for the unstable barrier regions. We propose a new method for obtaining the full profile by introducing a periodic ramp and using Jarzynski’s relation for obtaining equilibrium quantities from nonequilibrium data. Our simulated experiments show that this method delivers significant more accurate data than previous methods, under the constraint of equal experimental effort.

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Analysis Of Ligo Data For Gravitational Waves From Binary Neutron Stars, B. P. Abbott, R. Abbott, Wm. R. Johnston, Joseph D. Romano, V. Schmidt Jan 2004

Analysis Of Ligo Data For Gravitational Waves From Binary Neutron Stars, B. P. Abbott, R. Abbott, Wm. R. Johnston, Joseph D. Romano, V. Schmidt

Physics & Astronomy Faculty Publications

We report on a search for gravitational waves from coalescing compact binary systems in the Milky Way and the Magellanic Clouds. The analysis uses data taken by two of the three LIGO interferometers during the first LIGO science run and illustrates a method of setting upper limits on inspiral event rates using interferometer data. The analysis pipeline is described with particular attention to data selection and coincidence between the two interferometers. We establish an observational upper limit of R

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Generation Of The Transient Electrical And Spontaneous Magnetic Fields By Solid State Combustion, Karen S. Martirosyan, J. R. Claycomb, J. H. Miller Jr., D. Luss Jan 2004

Generation Of The Transient Electrical And Spontaneous Magnetic Fields By Solid State Combustion, Karen S. Martirosyan, J. R. Claycomb, J. H. Miller Jr., D. Luss

Physics & Astronomy Faculty Publications

Experiments revealed that transient electric field intensities up to 2.5 V/cm were generated during the initial period of combustion synthesis of the ferromagnetic products before the maximum temperature was reached. This occurred when the iron particles were partially oxidized and the reaction product was mainly magnetite sFe3O4d. The electromagnetic field caused spontaneous magnetization of the product in the postcombustion zone. Magnetic field values up to 4 µT formed after the sample temperature fell below the Curie temperature and the initial reactants were completely converted to the ferromagnetic phase PbFe12O19. Increasing the volume of the samples increases the absolute residual magnetic …

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Analysis Of First Ligo Science Data For Stochastic Gravitational Waves, B. P. Abbott, R. Abbott, Mario C. Diaz, Wm. R. Johnston, Joseph D. Romano Jan 2004

Analysis Of First Ligo Science Data For Stochastic Gravitational Waves, B. P. Abbott, R. Abbott, Mario C. Diaz, Wm. R. Johnston, Joseph D. Romano

Physics & Astronomy Faculty Publications

We present the analysis of between 50 and 100 h of coincident interferometric strain data used to search for and establish an upper limit on a stochastic background of gravitational radiation. These data come from the first LIGO science run, during which all three LIGO interferometers were operated over a 2-week period spanning August and September of 2002. The method of cross correlating the outputs of two interferometers is used for analysis. We describe in detail practical signal processing issues that arise when working with real data, and we establish an observational upper limit on a f−3 power spectrum of …

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Spontaneous Magnetization Generated By Spin, Pulsating, And Planar Combustion Synthesis, Karen S. Martirosyan, J. R. Claycomb, G. Gogoshin, R. A. Yarbrough, J. H. Miller Jr., D. Luss Jan 2003

Spontaneous Magnetization Generated By Spin, Pulsating, And Planar Combustion Synthesis, Karen S. Martirosyan, J. R. Claycomb, G. Gogoshin, R. A. Yarbrough, J. H. Miller Jr., D. Luss

Physics & Astronomy Faculty Publications

The motion of the high temperature front during combustion synthesis of ferrite materials generates residual magnetization in cylindrical product samples. The combustion wave created a current density of up to 10 A/cm2, which influenced the magnetization distribution. The measured peak magnetic field intensity was up to 8 mT. Qualitatively different magnetic field maps were generated in ferrite samples synthesized by different combustion modes. The average magnetization vector generated by either planar or pulsating combustion was oriented at a smaller angle with respect to the pellet axis ~f<45°! than those generated by spin combustion ~60°

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Mode-Cleaning And Injection Optics Of The Gravitational-Wave Detector Geo600, S. Goßler, M. M. Casey, A. Grant, H. Grote, Volker Quetschke Jan 2003

Mode-Cleaning And Injection Optics Of The Gravitational-Wave Detector Geo600, S. Goßler, M. M. Casey, A. Grant, H. Grote, Volker Quetschke

Physics & Astronomy Faculty Publications

The British–German interferometric gravitational-wave detector GEO600 uses two high-finesse triangular ring cavities of 8 m optical pathlength each, as an optical mode-cleaning system. The modecleaner system is housed in an ultrahigh-vacuum environment to avoid contamination of the optics and to minimize both the influence of refractive index variations of the air and acoustic coupling to the optics. To isolate the cavities from seismic noise, all optical components are suspended as double pendulums. These pendulums are damped at their resonance frequencies at the upper pendulum stage with magnet-coil actuators. A suspended reaction mass supports three coils matching magnets bonded onto the …

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Comment On ‘‘Why Is The Dna Denaturation Transition First Order?’’, Andreas Hanke, Ralf Metzler Jan 2003

Comment On ‘‘Why Is The Dna Denaturation Transition First Order?’’, Andreas Hanke, Ralf Metzler

Physics & Astronomy Faculty Publications

A Comment on the Letter by . The authors of the Letter offer a Reply.

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Tightness Of Slip-Linked Polymer Chains, Ralf Metzler, Andreas Hanke, Paul G. Dommersnes, Yacov Kantor, Mehran Kardar Jan 2002

Tightness Of Slip-Linked Polymer Chains, Ralf Metzler, Andreas Hanke, Paul G. Dommersnes, Yacov Kantor, Mehran Kardar

Physics & Astronomy Faculty Publications

We study the interplay between entropy and topological constraints for a polymer chain in which sliding rings (slip links) enforce pair contacts between monomers. These slip links divide a closed ring polymer into a number of subloops which can exchange length among each other. In the ideal chain limit, we find the joint probability density function for the sizes of segments within such a slip-linked polymer chain (paraknot). A particular segment is tight (small in size) or loose (of the order of the overall size of the paraknot) depending on both the number of slip links it incorporates and its …

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Group-Fitted Ab Initio Single- And Multiple-Scattering Exafs Debye-Waller Factors, Nicholas Dimakis, Grant Bunker Jan 2002

Group-Fitted Ab Initio Single- And Multiple-Scattering Exafs Debye-Waller Factors, Nicholas Dimakis, Grant Bunker

Physics & Astronomy Faculty Publications

X-ray absorption fine structure (XAFS) spectroscopy is one of the few direct probes of the structure of metalloprotein binding that is equally applicable to proteins in crystals, solutions, and membranes. Despite considerable progress in the calculation of the photoelectron scattering aspects of XAFS, calculation of the vibrational aspects has lagged because of the difficulty of the calculations. We report here initial results that express single- and multiple-scattering Debye-Waller factors as polynomial functions of first shell radial distance for metal-peptide complexes, enabling quantitatively accurate full multiple-scattering XAFS data analysis of active sites of unknown structure at arbitrary temperatures without the use …

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Correlation Functions Near Modulated And Rough Surfaces, Andreas Hanke, Mehran Kardar Jan 2002

Correlation Functions Near Modulated And Rough Surfaces, Andreas Hanke, Mehran Kardar

Physics & Astronomy Faculty Publications

In a system with long-ranged correlations, the behavior of correlation functions is sensitive to the presence of a boundary. We show that surface deformations strongly modify this behavior as compared to a flat surface. The modified near surface correlations can be measured by scattering probes. To determine these correlations, we develop a perturbative calculation in the deformations in height from a flat surface. Detailed results are given for a regularly patterned surface, as well as for a self-affinely rough surface with roughness exponent ζ. By combining this perturbative calculation in height deformations with the field-theoretic renormalization-group approach, we also estimate …

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Probing The Strong Boundary Shape Dependence Of The Casimir Force, Thorsten Emig, Andreas Hanke, Ramin Golestanian, Mehran Kardar Jan 2001

Probing The Strong Boundary Shape Dependence Of The Casimir Force, Thorsten Emig, Andreas Hanke, Ramin Golestanian, Mehran Kardar

Physics & Astronomy Faculty Publications

We study the geometry dependence of the Casimir energy for deformed metal plates by a path integral quantization of the electromagnetic field. For the first time, we give a complete analytical result for the deformation induced change in Casimir energy δE in an experimentally testable, nontrivial geometry, consisting of a flat and a corrugated plate. Our results show an interesting crossover for δE as a function of the ratio of the mean plate distance H, to the corrugation length λ: For λ≪H we find a slower decay ∼H−4, compared to the H−5 behavior predicted by the commonly used pairwise summation …

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Chemical Transferability Of Single- And Multiple-Scattering Exafs Debye-Waller Factors, Nicholas Dimakis, Grant Bunker Jan 2001

Chemical Transferability Of Single- And Multiple-Scattering Exafs Debye-Waller Factors, Nicholas Dimakis, Grant Bunker

Physics & Astronomy Faculty Publications

Single- and multiple-scattering EXAFS Debye-Waller factors are amplitude reduction parameters that appear in the EXAFS x(k) equation accounting for the structural and thermal disorder of a given sample. These parameters must be known accurately in order to obtain quantitative agreement between theory and experiment. Since experimental data can only support a limited number of fitted parameters these factors must be known from another source. Although various approaches have been considered in the past with a variety of results, the self-consistent ab initio Density functional theory stands for the most accurate and reliable method regardless of molecular symmetry or other specific …

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Verification Of A Distortion In The Microstructure Of Gan Detected By Exafs Using Ab Initio Density Functional Theory Calculations, Nicholas Dimakis, Grant Bunker, M. Katsikini, E. C. Paloura Jan 2001

Verification Of A Distortion In The Microstructure Of Gan Detected By Exafs Using Ab Initio Density Functional Theory Calculations, Nicholas Dimakis, Grant Bunker, M. Katsikini, E. C. Paloura

Physics & Astronomy Faculty Publications

X-ray absorption fine structure (XAFS) measurements on a series of epitaxially grown GaN samples have shown a distortion in the microstructure of GaN. More specifically the central N atom is 4-fold coordinated but the four Ga atoms are not equidistant. It has been shown that 2.9 to 3.5 of them (depending on the growth conditions) are found in the expected from XRD distance of 1.94 A and the remaining are at a distance longer by approximately 15%. Second derivative calculation of the conformation energy using the Density Functional Theory (DFT) is used to investigate if the symmetric GaN cluster as …

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Apex Version 2.0: Latest Version Of The Cross-Platform Analysis Program For Exafs, Nicholas Dimakis, Grant Bunker Jan 2001

Apex Version 2.0: Latest Version Of The Cross-Platform Analysis Program For Exafs, Nicholas Dimakis, Grant Bunker

Physics & Astronomy Faculty Publications

This report describes recent progress on APEX, a free, open source, cross platform set of EXAFS data analysis software. In a previous report we described APEX 1.0 (Dimakis, N. and Bunker, G., 1999), a free and open source code suite of basic X-Ray Absorption Fine Structure (XAFS) data analysis programs for classical data reduction and single scattering analysis. The first version of APEX was the only cross platform (linux/irix/windows/MacOS) EXAFS analysis program to our knowledge, but it lacked important features like multiple scattering fitting, generic format conversion from ASCII to University of Washington (UW) binary-type files, and user friendly interactive …

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Polymer Depletion Interaction Between Two Parallel Repulsive Walls, F. Schlesener, Andreas Hanke, R. Kimpel, S. Dietrich Jan 2001

Polymer Depletion Interaction Between Two Parallel Repulsive Walls, F. Schlesener, Andreas Hanke, R. Kimpel, S. Dietrich

Physics & Astronomy Faculty Publications

The depletion interaction between two parallel repulsive walls confining a dilute solution of long and flexible polymer chains is studied by field-theoretic methods. Special attention is paid to self-avoidance between chain monomers relevant for polymers in a good solvent. Our direct approach avoids the mapping of the actual polymer chains on effective hard or soft spheres. We compare our results with recent Monte Carlo simulations [A. Milchev and K. Binder, Eur. Phys. J. B 3, 477 (1998)] and with experimental results for the depletion interaction between a spherical colloidal particle and a planar wall in a dilute solution of nonionic …

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Modified Critical Correlations Close To Modulated And Rough Surfaces, Andreas Hanke, Mehran Kardar Jan 2001

Modified Critical Correlations Close To Modulated And Rough Surfaces, Andreas Hanke, Mehran Kardar

Physics & Astronomy Faculty Publications

Correlation functions are sensitive to the presence of a boundary. Surface modulations give rise to modified near surface correlations, which can be measured by scattering probes. To determine these correlations, we develop a perturbative calculation in deformations in height from a flat surface. The results, combined with a renormalization group around four dimensions, are also used to predict critical behavior near a self-affine rough surface. We find that a large enough roughness exponent can modify surface critical behavior.

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Robust Test For Detecting Nonstationarity In Data From Gravitational Wave Detectors, Soumya Mohanty Jan 2000

Robust Test For Detecting Nonstationarity In Data From Gravitational Wave Detectors, Soumya Mohanty

Physics & Astronomy Faculty Publications

It is difficult to choose detection thresholds for tests of nonstationarity that assume a priori a noise model if the data are statistically uncharacterized to begin with. This is a potentially serious problem when an automated analysis is required, as would be the case for the huge data sets that large interferometric gravitational wave detectors will produce. A solution is proposed in the form of a robust time-frequency test for detecting nonstationarity whose threshold for a specified false alarm rate is almost independent of the statistical nature of the ambient stationary noise. The efficiency of this test in detecting bursts …

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Critical Adsorption On Defects In Ising Magnets And Binary Alloys, Andreas Hanke Jan 2000

Critical Adsorption On Defects In Ising Magnets And Binary Alloys, Andreas Hanke

Physics & Astronomy Faculty Publications

Long-range correlations in a magnet close to its critical point or in a binary alloy close to a continuous order-disorder transition can substantially enhance the effect of local perturbations. It is demonstrated using a position-space renormalization procedure that quasi-one-dimensional defects which break the symmetry of the order parameter have pronounced effects: They cause long-range critical adsorption profiles and give rise to new universal critical exponents, which are identified and calculated using field-theoretical methods.

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Detecting An Association Between Gamma Ray And Gravitational Wave Bursts, Lee Samuel Finn, Soumya Mohanty, Joseph D. Romano Jan 1999

Detecting An Association Between Gamma Ray And Gravitational Wave Bursts, Lee Samuel Finn, Soumya Mohanty, Joseph D. Romano

Physics & Astronomy Faculty Publications

If γ-ray bursts (GRBs) are accompanied by gravitational wave bursts (GWBs) the correlated output of two gravitational wave detectors evaluated in the moments just prior to a GRB will differ from that evaluated at other times. We can test for this difference without prior knowledge of either the GWB wave form or the detector noise spectrum. With a model for the GRB source population and GWB spectrum we can put a limit on the in-band rms GWB signal amplitude. Laser-Interferometer Gravitational Wave Observatory I detector observations coincident with 1000 GRB observations could lead us to exclude with 95% confidence associated …

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Critical Adsorption On Curved Objects, Andreas Hanke, S. Dietrich Jan 1999

Critical Adsorption On Curved Objects, Andreas Hanke, S. Dietrich

Physics & Astronomy Faculty Publications

A systematic field-theoretical description of critical adsorption on curved objects such as spherical or rodlike colloidal particles immersed in a fluid near criticality is presented. The temperature dependence of the corresponding order parameter profiles and of the excess adsorption are calculated explicitly. Critical adsorption on elongated rods is substantially more pronounced than on spherical particles. It turns out that, within the context of critical phenomena in confined geometries, critical adsorption on a microscopically thin ‘‘needle’’ represents a distinct universality class of its own. Under favorable conditions the results are relevant for the flocculation of colloidal particles.

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Observational Limit On Gravitational Waves From Binary Neutron Stars In The Galaxy, B. Allen, J. K. Blackburn, J. D. Creighton, Teviet Creighton Jan 1999

Observational Limit On Gravitational Waves From Binary Neutron Stars In The Galaxy, B. Allen, J. K. Blackburn, J. D. Creighton, Teviet Creighton

Physics & Astronomy Faculty Publications

Using optimal matched filtering, we search 25 hours of data from the LIGO 40-m prototype laser interferometric gravitational-wave detector for gravitational-wave chirps emitted by coalescing binary systems within our Galaxy. This is the first test of this filtering technique on real interferometric data. An upper limit on the rate R of neutron star binary inspirals in our Galaxy is obtained: with 90% confidence, R<0.5h−1. Similar experiments with LIGO interferometers will provide constraints on the population of tight binary neutron star systems in the Universe.

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Rapid Single- And Multiple-Scattering Exafs Debye-Waller Factor Calculations On Active Sites Of Metalloproteins, Nicholas Dimakis, M-Ali Al-Akhras, Grant Bunker Jan 1999

Rapid Single- And Multiple-Scattering Exafs Debye-Waller Factor Calculations On Active Sites Of Metalloproteins, Nicholas Dimakis, M-Ali Al-Akhras, Grant Bunker

Physics & Astronomy Faculty Publications

This paper describes recent results using our approach to calculating self-consistently single (SS) and multiple-scattering (MS) Debye- Waller factors (DWF) on active sites of metalloproteins. The calculation of MS DWF, together with the Feff7 program allows us to simulate ab-initio EXAFS spectra for a given temperature systems with no adjustable parameters. In our latest report (Dimakis N., and Bunker G., 1998) we calculate, using density functional and semiempirical approaches, the SS and MS DWF for small molecules and compared them to Raman, infrared and EXAFS spectra. In this report calculation of DWFs is done for tetrahedral Zn imidazole, a complex …

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Critical Adsorption Near Edges, Andreas Hanke, M. Krech, F. Schlesener, S. Dietrich Jan 1999

Critical Adsorption Near Edges, Andreas Hanke, M. Krech, F. Schlesener, S. Dietrich

Physics & Astronomy Faculty Publications

Symmetry breaking surface fields give rise to nontrivial and long-ranged order parameter profiles for critical systems such as fluids, alloys, or magnets confined to wedges. We discuss the properties of the corresponding universal scaling functions of the order parameter profile and the two-point correlation function, and determine the critical exponents η∥ and η⊥ for the so-called normal transition.

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Apex: Cross-Platform Analysis Program For Exafs, Nicholas Dimakis, Grant Bunker Jan 1999

Apex: Cross-Platform Analysis Program For Exafs, Nicholas Dimakis, Grant Bunker

Physics & Astronomy Faculty Publications

We have developed version 1.0 of a freely available (including source code) suite of basic X-Ray Absorption Fine Structure (XAFS) data analysis programs for data reduction and single scattering analysis. This package is based on the University of Washington (UW/NRL) Fortran 77 programs that are available on the International XAFS Society (IXS) database, complemented by a graphical TCL/TK scripting language based user interface which runs virtually unchanged between platforms, using the native look and feel of the corresponding platform. The package has been tested on MacOS 8.1, Linux, IRIX, Windows95 and NT. Particular emphasis is placed on simplicity, reliability, and …

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Polymer Depletion Effects Near Mesoscopic Particles, Andreas Hanke, E. Eisenriegler, S. Dietrich Jan 1999

Polymer Depletion Effects Near Mesoscopic Particles, Andreas Hanke, E. Eisenriegler, S. Dietrich

Physics & Astronomy Faculty Publications

The behavior of mesoscopic particles dissolved in a dilute solution of long, flexible, and nonadsorbing polymer chains is studied by field-theoretic methods. For spherical and cylindrical particles the solvation free energy for immersing a single particle in the solution is calculated explicitly. Important features are qualitatively different for self-avoiding polymer chains as compared with ideal chains. The results corroborate the validity of the Helfrich-type curvature expansion for general particle shapes and allow for quantitative experimental tests. For the effective interactions between a small sphere and a wall, between a thin rod and a wall, and between two small spheres, quantitative …

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Ab Initio Single- And Multiple-Scattering Exafs Debye-Waller Factors: Raman And Infrared Data, Nicholas Dimakis, Grant Bunker Jan 1998

Ab Initio Single- And Multiple-Scattering Exafs Debye-Waller Factors: Raman And Infrared Data, Nicholas Dimakis, Grant Bunker

Physics & Astronomy Faculty Publications

The extended x-ray-absorption fine structure (EXAFS) Debye-Waller factor is an essential term appearing in the EXAFS equation that accounts for the molecular structural and thermal disorder of a sample. Single- and multiple-scattering Debye-Waller factors must be known accurately to obtain quantitative agreement between theory and experiment. Since the total number of fitting parameters that can be varied is limited in general, data cannot support fitting of all relevant multiple-scattering Debye-Waller factors. Calculation of the Debye-Waller factors is typically done using the correlated Debye approximation, where a single parameter (Debye temperature) is varied. However, this procedure cannot account in general for …

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A Data Analysis Approach For Detecting Gravitational Waves From Psr 0437-4715, Soumya Mohanty, I. S. Heng, David Blair, S. Dhurandhar, M. Tovar, E. Ivanov Jan 1998

A Data Analysis Approach For Detecting Gravitational Waves From Psr 0437-4715, Soumya Mohanty, I. S. Heng, David Blair, S. Dhurandhar, M. Tovar, E. Ivanov

Physics & Astronomy Faculty Publications

A search for gravitational waves from the millisecond pulsar PSR 0437-4715 has been initiated using the bar detector NIOBE which is located at the University of Western Australia. We present a detailed report on the data analysis algorithm, called phase plane rotation, which will be used in this search. A discussion of the actual implementation of the algorithm is presented. The data analysis algorithm mentioned above has the advantage that it requires minimal changes to the already-existing data acquisition facility of NIOBE but, at the same time, it is as efficient as optimal filtering in detecting a signal. This …

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Searching For Periodic Sources With Ligo, Patrick R. Brady, Teviet Creighton, Curt Cutler, Bernard F. Schutz Jan 1998

Searching For Periodic Sources With Ligo, Patrick R. Brady, Teviet Creighton, Curt Cutler, Bernard F. Schutz

Physics & Astronomy Faculty Publications

We investigate the computational requirements for all-sky, all-frequency searches for gravitational waves from spinning neutron stars, using archived data from interferometric gravitational wave detectors such as LIGO. These sources are expected to be weak, so the optimal strategy involves coherent accumulaton of signal-to-noise using Fourier transforms of long stretches of data (months to years). Earth-motion-induced Doppler shifts, and intrinsic pulsar spindown, will reduce the narrow-band signal-to-noise by spreading power across many frequency bins; therefore, it is necessary to correct for these effects before performing the Fourier transform. The corrections can be implemented by a parametrized model, in which one does …

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Critical Casimir Forces Between Spherical Particles In Fluids, Andreas Hanke, F. Schlesener, E. Eisenriegler, S. Dietrich Jan 1998

Critical Casimir Forces Between Spherical Particles In Fluids, Andreas Hanke, F. Schlesener, E. Eisenriegler, S. Dietrich

Physics & Astronomy Faculty Publications

Long-ranged correlations in a fluid close to its critical point Tc cause distinct forces between immersed colloidal particles and the container walls. We calculate such a force and its temperature dependence for the generic case of a spherical particle located at a distance D from a planar wall and find that the force attains a maximum at a temperature Tmax(D) above Tc, which facilitates quantitative experimental tests. The corresponding effective pair interaction between the colloidal particles themselves, potentially leading to aggregation, is also discussed.

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Hierarchical Search Strategy For The Detection Of Gravitational Waves From Coalescing Binaries: Extension To Post-Newtonian Waveforms, Soumya Mohanty Jan 1998

Hierarchical Search Strategy For The Detection Of Gravitational Waves From Coalescing Binaries: Extension To Post-Newtonian Waveforms, Soumya Mohanty

Physics & Astronomy Faculty Publications

The detection of gravitational waves from coalescing compact binaries would be a computationally intensive process if a single bank of template wave forms (one step search) is used. In an earlier paper we presented a detection strategy, called a two step search, that utilizes a hierarchy of template banks. It was shown that in the simple case of a family of Newtonian signals, an on-line two step search was ≃8 times faster than an on-line one step search (for the initial LIGO). In this paper we extend the two step search to the more realistic case of …

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