39 research outputs found

    Formation of Quantum Phase Slip Pairs in Superconducting Nanowires

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    Macroscopic quantum tunneling (MQT) is a fundamental phenomenon of quantum mechanics related to the actively debated topic of quantum-to-classical transition. The ability to realize MQT affects implementation of qubit-based quantum computing schemes and their protection against decoherence. Decoherence in qubits can be reduced by means of topological protection, e.g. by exploiting various parity effects. In particular, paired phase slips can provide such protection for superconducting qubits. Here, we report on the direct observation of quantum paired phase slips in thin-wire superconducting loops. We show that in addition to conventional single phase slips that change superconducting order parameter phase by 2π2\pi, there are quantum transitions changing the phase by 4π4\pi. Quantum paired phase slips represent a synchronized occurrence of two macroscopic quantum tunneling events, i.e. cotunneling. We demonstrate the existence of a remarkable regime in which paired phase slips are exponentially more probable than single ones

    Container solutions for HPC Systems: A Case Study of Using Shifter on Blue Waters

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    Software container solutions have revolutionized application development approaches by enabling lightweight platform abstractions within the so-called "containers." Several solutions are being actively developed in attempts to bring the benefits of containers to high-performance computing systems with their stringent security demands on the one hand and fundamental resource sharing requirements on the other. In this paper, we discuss the benefits and short-comings of such solutions when deployed on real HPC systems and applied to production scientific applications.We highlight use cases that are either enabled by or significantly benefit from such solutions. We discuss the efforts by HPC system administrators and support staff to support users of these type of workloads on HPC systems not initially designed with these workloads in mind focusing on NCSA's Blue Waters system.Comment: 8 pages, 7 figures, in PEARC '18: Proceedings of Practice and Experience in Advanced Research Computing, July 22--26, 2018, Pittsburgh, PA, US

    Molecular Dynamics Simulation of DNA Capture and Transport in Heated Nanopores

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    The Roman Senate During the Period of the Class Struggle in the 6th-4th Centures B.C. The Рroblems of Evolution

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    Автор исследует эволюцию сената в VI-ІV вв. до н.э., что позволяет заново осмыслить многие перипетии сословной борьбы патрициев и плебеев

    Molecular Dynamics Simulation of DNA Capture and Transport in Heated Nanopores

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    The integration of local heat sources with solid-state nanopores offers new means for controlling the transmembrane transport of charged biomacromolecules. In the case of electrophoretic transport of DNA, recent experimental studies revealed unexpected temperature dependences of the DNA capture rate, the DNA translocation velocity, and the ionic current blockades produced by the presence of DNA in the nanopore. Here, we report the results of all-atom molecular dynamics simulations that elucidated the effect of temperature on the key microscopic processes governing electric field-driven transport of DNA through nanopores. Mimicking the experimental setup, we simulated the capture and subsequent translocation of short DNA duplexes through a locally heated nanopore at several temperatures and electrolyte conditions. The temperature dependence of ion mobility at the DNA surface was found to cause the dependence of the relative conductance blockades on temperature. To the first order, the effective force on DNA in the nanopore was found to be independent of temperature, despite a considerable reduction of solution viscosity. The temperature dependence of the solution viscosity was found to make DNA translocations faster for a uniformly heated system but not in the case of local heating that does not affect viscosity of solution surrounding the untranslocated part of the molecule. Increasing solution temperature was also found to reduce the lifetime of bonds formed between cations and DNA. Using a flow suppression algorithm, we were able to separate the effects of electro-osmotic flow and direct ion binding, finding the reduced durations of DNA–ion bonds to increase, albeit weakly, the effective force experienced by DNA in an electric field. Unexpectedly, our simulations revealed a considerable temperature dependence of solvent velocity at the DNA surfaceslip velocity, an effect that can alter hydrodynamic coupling between the motion of DNA and the surrounding fluid

    Plasmonic Nanopores for Trapping, Controlling Displacement, and Sequencing of DNA

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    With the aim of developing a DNA sequencing methodology, we theoretically examine the feasibility of using nanoplasmonics to control the translocation of a DNA molecule through a solid-state nanopore and to read off sequence information using surface-enhanced Raman spectroscopy. Using molecular dynamics simulations, we show that high-intensity optical hot spots produced by a metallic nanostructure can arrest DNA translocation through a solid-state nanopore, thus providing a physical knob for controlling the DNA speed. Switching the plasmonic field on and off can displace the DNA molecule in discrete steps, sequentially exposing neighboring fragments of a DNA molecule to the pore as well as to the plasmonic hot spot. Surface-enhanced Raman scattering from the exposed DNA fragments contains information about their nucleotide composition, possibly allowing the identification of the nucleotide sequence of a DNA molecule transported through the hot spot. The principles of plasmonic nanopore sequencing can be extended to detection of DNA modifications and RNA characterization.Funding Agencies|National Institutes of Health [R01-HG007406, P41-RR005969]; National Science Foundation [DMR-0955959]; Wenner-Gren Foundations; Netherlands Organisation for Scientific Research; XSEDE Allocation Grant [MCA05S028]</p

    Stretching and Controlled Motion of Single-Stranded DNA in Locally Heated Solid-State Nanopores

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    Practical applications of solid-state nanopores for DNA detection and sequencing require the electrophoretic motion of DNA through the nanopores to be precisely controlled. Controlling the motion of single-stranded DNA presents a particular challenge, in part because of the multitude of conformations that a DNA strand can adopt in a nanopore. Through continuum, coarse-grained and atomistic modeling, we demonstrate that local heating of the nanopore volume can be used to alter the electrophoretic mobility and conformation of single-stranded DNA. In the nanopore systems considered, the temperature near the nanopore is modulated <i>via</i> a nanometer-size heater element that can be radiatively switched on and off. The local enhancement of temperature produces considerable stretching of the DNA fragment confined within the nanopore. Such stretching is reversible, so that the conformation of DNA can be toggled between compact (local heating is off) and extended (local heating is on) states. The effective thermophoretic force acting on single-stranded DNA in the vicinity of the nanopore is found to be sufficiently large (4–8 pN) to affect such changes in the DNA conformation. The local heating of the nanopore volume is observed to promote single-file translocation of DNA strands at transmembrane biases as low as 10 mV, which opens new avenues for using solid-state nanopores for detection and sequencing of DNA

    Stretching and Controlled Motion of Single-Stranded DNA in Locally Heated Solid-State Nanopores

    No full text
    Practical applications of solid-state nanopores for DNA detection and sequencing require the electrophoretic motion of DNA through the nanopores to be precisely controlled. Controlling the motion of single-stranded DNA presents a particular challenge, in part because of the multitude of conformations that a DNA strand can adopt in a nanopore. Through continuum, coarse-grained and atomistic modeling, we demonstrate that local heating of the nanopore volume can be used to alter the electrophoretic mobility and conformation of single-stranded DNA. In the nanopore systems considered, the temperature near the nanopore is modulated <i>via</i> a nanometer-size heater element that can be radiatively switched on and off. The local enhancement of temperature produces considerable stretching of the DNA fragment confined within the nanopore. Such stretching is reversible, so that the conformation of DNA can be toggled between compact (local heating is off) and extended (local heating is on) states. The effective thermophoretic force acting on single-stranded DNA in the vicinity of the nanopore is found to be sufficiently large (4–8 pN) to affect such changes in the DNA conformation. The local heating of the nanopore volume is observed to promote single-file translocation of DNA strands at transmembrane biases as low as 10 mV, which opens new avenues for using solid-state nanopores for detection and sequencing of DNA

    Assessing Graphene Nanopores for Sequencing DNA

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    Using all-atom molecular dynamics and atomic-resolution Brownian dynamics, we simulate the translocation of single-stranded DNA through graphene nanopores and characterize the ionic current blockades produced by DNA nucleotides. We find that transport of single DNA strands through graphene nanopores may occur in single nucleotide steps. For certain pore geometries, hydrophobic interactions with the graphene membrane lead to a dramatic reduction in the conformational fluctuations of the nucleotides in the nanopores. Furthermore, we show that ionic current blockades produced by different DNA nucleotides are, in general, indicative of the nucleotide type, but very sensitive to the orientation of the nucleotides in the nanopore. Taken together, our simulations suggest that strand sequencing of DNA by measuring the ionic current blockades in graphene nanopores may be possible, given that the conformation of DNA nucleotides in the nanopore can be controlled through precise engineering of the nanopore surface

    Assessing Graphene Nanopores for Sequencing DNA

    No full text
    Using all-atom molecular dynamics and atomic-resolution Brownian dynamics, we simulate the translocation of single-stranded DNA through graphene nanopores and characterize the ionic current blockades produced by DNA nucleotides. We find that transport of single DNA strands through graphene nanopores may occur in single nucleotide steps. For certain pore geometries, hydrophobic interactions with the graphene membrane lead to a dramatic reduction in the conformational fluctuations of the nucleotides in the nanopores. Furthermore, we show that ionic current blockades produced by different DNA nucleotides are, in general, indicative of the nucleotide type, but very sensitive to the orientation of the nucleotides in the nanopore. Taken together, our simulations suggest that strand sequencing of DNA by measuring the ionic current blockades in graphene nanopores may be possible, given that the conformation of DNA nucleotides in the nanopore can be controlled through precise engineering of the nanopore surface
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