4,026 research outputs found
Data-driven Efficient Solvers and Predictions of Conformational Transitions for Langevin Dynamics on Manifold in High Dimensions
We work on dynamic problems with collected data that
distributed on a manifold . Through the
diffusion map, we first learn the reaction coordinates where is a manifold isometrically embedded into an
Euclidean space for . The reaction coordinates
enable us to obtain an efficient approximation for the dynamics described by a
Fokker-Planck equation on the manifold . By using the reaction
coordinates, we propose an implementable, unconditionally stable, data-driven
upwind scheme which automatically incorporates the manifold structure of
. Furthermore, we provide a weighted convergence analysis of
the upwind scheme to the Fokker-Planck equation. The proposed upwind scheme
leads to a Markov chain with transition probability between the nearest
neighbor points. We can benefit from such property to directly conduct
manifold-related computations such as finding the optimal coarse-grained
network and the minimal energy path that represents chemical reactions or
conformational changes. To establish the Fokker-Planck equation, we need to
acquire information about the equilibrium potential of the physical system on
. Hence, we apply a Gaussian Process regression algorithm to
generate equilibrium potential for a new physical system with new parameters.
Combining with the proposed upwind scheme, we can calculate the trajectory of
the Fokker-Planck equation on based on the generated equilibrium
potential. Finally, we develop an algorithm to pullback the trajectory to the
original high dimensional space as a generative data for the new physical
system.Comment: 59 pages, 16 figure
Quantum Computer Using Coupled Quantum Dot Molecules
We propose a method for implementation of a quantum computer using artificial
molecules. The artificial molecule consists of two coupled quantum dots stacked
along z direction and one single electron. One-qubit and two-qubit gates are
constructed by one molecule and two coupled molecules, respectively.The ground
state and the first excited state of the molecule are used to encode the |0>
and |1> states of a qubit. The qubit is manipulated by a resonant
electromagnetic wave that is applied directly to the qubit through a microstrip
line. The coupling between two qubits in a quantum controlled NOT gate is
switched on (off) by floating (grounding) the metal film electrodes. We study
the operations of the gates by using a box-shaped quantum dot model and
numerically solving a time-dependent Schridinger equation, and demonstrate that
the quantum gates can perform the quantum computation. The operating speed of
the gates is about one operation per 4ps. The reading operation of the output
of the quantum computer can be performed by detecting the polarization of the
qubits.Comment: 18 pages, 7 figures, submitted to Jpn. J. Appl. Phys, please send
your e-mail to Nan-Jian Wu <[email protected]
Possible hard X-ray shortages in bursts from KS 1731-260 and 4U 1705-44
Aims: A hard X-ray shortage, implying the cooling of the corona, was observed
during bursts of IGR J17473-272, 4U 1636-536, Aql X-1, and GS 1826-238. Apart
from these four sources, we investigate here an atoll sample, in which the
number of bursts for each source is larger than 5, to explore the possible
additional hard X-ray shortage during {\it Rossi X-ray timing explorer (RXTE)}
era. Methods: According to the source catalog that shows type-I bursts, we
analyzed all the available pointing observations of these sources carried out
by the {\it RXTE} proportional counter array (PCA). We grouped and combined the
bursts according to their outburst states and searched for the possible hard
X-ray shortage while bursting. Results: We found that the island states of KS
1731-260 and 4U 1705-44 show a hard X-ray shortage at significant levels of 4.5
and 4.7 and a systematic time lag of s and
s with respect to the soft X-rays, respectively. While in their banana branches
and other sources, we did not find any consistent shortage.Comment: 5 pages, 4 figures, accepted by A&A as a research not
In-situ TEM Study of Dislocation-Interface Interactions
In this chapter, we highlighted the in situ transmission electron microscope (TEM) observation of the interactions of dislocations with three types of interfaces: (i) twin boundaries in Cu; (ii) metallic interphase boundaries; and (iii) metal/ceramic interfaces. Interface structures, interface properties, and dislocation-interface interactions are characterized in a high-resolution TEM. These knowledge provided insights into the understanding of the physical properties of materials, developing materials modeling tools incorporating interface deformation physics, and designing materials with desired properties
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