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Ying Chen

Publications and source records attributed to Ying Chen.

At least 469 records · Page 26Linked to original sources
arXiv2008

Ab initio investigation on oxygen defect clusters in UO2+x

By first-principles LSDA+U calculations, we revealed that the current physical picture of defective uranium dioxide suggested solely by neutron diffraction analysis is unsatisfactory. An understanding based on quantum theory has been established as a thermodynamical competition among point defects and cuboctahedral cluster, which naturally interprets the puzzled origin of the asymmetric O' and O'' interstitials. It also gives a clear and consistent agreement with most available experimental data. Unfortunately, the observed high occupation of O'' site cannot be accounted for in this picture and is still a challenge for theoretical simulations.

cond-mat.mtrl-sci↗
arXiv2008

Point defects and clustering in uranium dioxide by LSDA+U calculations

A comprehensive investigation on point defects and their clustering behavior in nonstoichiometric uranium dioxide UO2+x is carried out using LSDA+U method based on density functional theory. Accurate energetic information and charge transfers available so far are obtained. With these energies that have improved more than 50% over that of pure GGA and LDA, we show the density functional theory predicts the predominance of oxygen defects over uranium ones at any compositions, which is possible only after treated the localized 5f electrons properly. Calculations also suggest an upper bound of x~0.03 for oxygen clusters to start off. The volume change induced by point uranium defects is monotonic but nonlinear, whereas for oxygen defects, increase x always reduces the system volume linearly, except dimers that require extra space for accommodation, which has been identified as meta-stable ionic molecule. Though oxygen dimers usually occupy Willis O'' sites and mimic a single oxygen in energetics and charge state, they are rare at ambient conditions. Its decomposition process and vibrational properties have been studied carefully. To obtain a general clustering mechanism in anion-excess fluorites systematically, we also analyze the local stabilities of possible basic clustering modes of oxygen defects. The result shows an unified way to understand the structure of Willis type and cuboctahedral clusters in UO2+x and beta-U4O9. Finally we generalize the point defect model to the independent clusters approximation to include clustering effects, the impact on defect populations is discussed.

cond-mat.mtrl-sci↗
arXiv2008

Stability mechanism of cuboctahedral clusters in UO2: First-principles calculations

The stability mechanism of cuboctahedral clusters in nonstoichiometric uranium dioxide is investigated by first-principles LSDA+U method. Calculations reveal that the structural stability is inherited from U6O12 molecular cluster whereas the energy gain through occupying its center with an additional oxygen makes the cluster win out by competition with point oxygen interstitials. Local displacement of the center oxygen along <111> direction also leads the cluster 8-folded degeneracy and increases relatively the concentration at finite temperatures. But totally, elevation of temperature, i.e., the effect of entropy, favors point interstitial over cuboctahedral clusters.

cond-mat.mtrl-sci↗
arXiv2008

Visual Checking of Spreadsheets

The difference between surface and deep structures of a spreadsheet is a major cause of difficulty in checking spreadsheets. After a brief survey of current methods of checking (or debugging) spreadsheets, new visual methods of showing the deep structures are presented. Illustrations are given on how these visual methods can be employed in various interactive local and global debugging strategies.

cs.HC↗
arXiv2008

Mesoscopic Phase Coherence in a Quantum Spin Fluid

Mesoscopic quantum phase coherence is important because it improves the prospects for handling quantum degrees of freedom in technology. Here we show that the development of such coherence can be monitored using magnetic neutron scattering from a one-dimensional spin chain Y2BaNiO5, a quantum spin fluid where no classical, static magnetic order is present. In the cleanest samples, the quantum coherence length is 20 nm, almost an order of magnitude larger than the classical antiferromagnetic correlation length of 3 nm. We also demonstrate that the coherence length can be modified by static and thermally activated defects in a quantitatively predictable manner.

cond-mat.str-el↗
arXiv2007

The Fincher-Burke spin excitations and omega/T scaling in the insulating 5% Sr-doped La2CuO4

Insulating La1.95Sr0.05CuO4 shares with superconducting cuprates the same Fincher-Burke-like spin excitations, which usually are observed in itinerant antiferromagnets. The local spectral function satisfies omega/T scaling above ~16 K for this incommensurate insulating cuprate. Together with previous results in commensurate insulating and incommensurate superconducting cuprates, these results further support the general scaling prediction for square-lattice quantum spin S=1/2 systems. The width of incommensurate peaks in La1.95Sr0.05CuO4 scales to a similar finite value as at optimal doping, strongly suggesting that they are similarly distant from a quantum critical point. They might both be limited to a finite correlation length by the partial spin-glass freezing.

cond-mat.supr-con↗
arXiv2007

The quantum solvation, adiabatic versus nonadiabatic, and Markovian versus non-Markovian nature of electron transfer rate processes

In this work, we revisit the electron transfer rate theory, with particular interests in the distinct quantum solvation effect, and the characterizations of adiabatic/nonadiabatic and Markovian/non-Markovian rate processes. We first present a full account for the quantum solvation effect on the electron transfer in Debye solvents, addressed previously in J. Theore. & Comput. Chem. {\bf 5}, 685 (2006). Distinct reaction mechanisms, including the quantum solvation-induced transitions from barrier-crossing to tunneling, and from barrierless to quantum barrier-crossing rate processes, are shown in the fast modulation or low viscosity regime. This regime is also found in favor of nonadiabatic rate processes. We further propose to use Kubo's motional narrowing line shape function to describe the Markovian character of the reaction. It is found that a non-Markovian rate process is most likely to occur in a symmetric system in the fast modulation regime, where the electron transfer is dominant by tunneling due to the Fermi resonance.

physics.chem-ph↗
arXiv2007

Hadron Scattering in an Asymmetric Box

We propose to study hadron-hadron scattering using lattice QCD in an asymmetric box which allows one to access more non-degenerate low-momentum modes for a given volume. The conventional Lüscher's formula applicable in a symmetric box is modified accordingly. To illustrate the feasibility of this approach, pion-pion elastic scattering phase shifts in the I=2, J=0 channel are calculated within quenched approximation using improved gauge and Wilson fermion actions on anisotropic lattices in an asymmetric box. After the chiral and continuum extrapolation, we find that our quenched results for the scattering phase shifts in this channel are consistent with the experimental data when the three-momentum of the pion is below 300MeV. Agreement is also found when compared with previous theoretical results from lattice and other means. Moreover, with the usage of asymmetric volume, we are able to compute the scattering phases in the low-momentum range (pion three momentum less than about 350MeV in the center of mass frame) for over a dozen values of the pion three-momenta, much more than using the conventional symmetric box with comparable volume.

hep-lat↗
arXiv2006

On the Locality and Scaling of Overlap Fermions at Coarse Lattice Spacings

The overlap fermion offers the considerable advantage of exact chiral symmetry on the lattice, but is numerically intensive. This can be made affordable while still providing large lattice volumes, by using coarse lattice spacing, given that good scaling and localization properties are established. Here, using overlap fermions on quenched Iwasaki gauge configurations, we demonstrate directly that, with appropriate choice of negative Wilson's mass, the overlap Dirac operator's range is comfortably small in lattice units for each of the lattice spacings 0.20 fm, 0.17 fm, and 0.13 fm (and scales to zero in physical units in the continuum limit). In particular, our direct results contradict recent speculation that an inverse lattice spacing of 1 GeV is too low to have satisfactory localization. Furthermore, hadronic masses (available on the two coarser lattices) scale very well.

hep-lat↗
arXiv2005

Locality and Scaling of Quenched Overlap Fermions

The overlap fermion offers the tremendous advantage of exact chiral symmetry on the lattice, but is numerically intensive. This can be made affordable while still providing large lattice volumes, by using coarse lattice spacing, given that good scaling and localization properties are established. Here, using overlap fermions on quenched Iwasaki gauge configurations, we demonstrate directly that the overlap Dirac operator's range is comfortably small in lattice units for each of the lattice spacings 0.20 fm, 0.17 fm, and 0.13 fm (and scales to zero in physical units in the continuum limit). In particular, our direct results contradict recent speculation that an inverse lattice spacing of $1 {\rm GeV}$ is too low to have satisfactory localization. Furthermore, hadronic masses (available on the two coarser lattices) scale very well.

hep-lat↗
arXiv2004

Improved Measure of Local Chirality

It is popular to probe the structure of the QCD vacuum indirectly by studying individual fermion eigenmodes, because this provides a natural way to filter out UV fluctuations. The double-peaking in the distribution of the local chiral orientation parameter (X) has been offered as evidence, by some, in support of a particular model of the vacuum. Here we caution that the X-distribution peaking varies significantly with various versions of the definition of X. Furthermore, each distribution varies little from that resulting from a random reshuffling of the left-handed (and independently the right-handed) fields, which destroys any QCD-induced left-right correlation; that is, the double-peaking is mostly a phase-space effect. We propose a new universal definition of the X parameter whose distribution is uniform for randomly reshuffled fields. Any deviations from uniformity for actual data can then be directly attributable to QCD-induced dynamics. We find that the familiar double peak disappears.

hep-lat↗
arXiv2004

The Sequential Empirical Bayes Method: An Adaptive Constrained-Curve Fitting Algorithm for Lattice QCD

We introduce the ``Sequential Empirical Bayes Method'', an adaptive constrained-curve fitting procedure for extracting reliable priors. These are then used in standard augmented-$χ^2$ fits on separate data. This better stabilizes fits to lattice QCD overlap-fermion data at very low quark mass where {\it a priori} values are not otherwise known. Lessons learned (including caveats limiting the scope of the method) from studying artificial data are presented. As an illustration, from local-local two-point correlation functions, we obtain masses and spectral weights for ground and first-excited states of the pion, give preliminary fits for the $a_0$ where ghost states (a quenched artifact) must be dealt with, and elaborate on the details of fits of the Roper resonance and $S_{11}(N^{1/2-})$ previously presented elsewhere. The data are from overlap fermions on a quenched $16^3\times 28$ lattice with spatial size $La=3.2 {\rm fm}$ and pion mass as low as $\sim 180 {\rm MeV}$.

hep-lat↗
arXiv2001

Calculating the I=2 Pion Scattering Length Using Tadpole Improved Clover Wilson Action on Coarse Anisotropic Lattices

In an exploratory study, using the tadpole improved clover Wilson quark action on small, coarse and anisotropic lattices, the $ππ$ scattering length in the I=2 channel is calculated within quenched approximation. A new method is proposed which enables us to make chiral extrapolation of our lattice results without calculating the decay constant on the lattice. Finite volume and finite lattice spacing errors are analyzed and the results are extrapolated towards the infinite volume and continuum limit. Comparisons of our lattice results with the new experiment and the results from Chiral Perturbation Theory are made. Good agreements are found.

hep-lat↗
arXiv2001

I=2 Pion Scattering Length from a Coarse Anisotropic Lattice Calculation

Using the tadpole improved clover Wilson quark action on coarse anisotropic lattices, the $ππ$ scattering length in the I=2 channel is calculated within quenched approximation. We show that such a calculation is feasible using small lattices on small computers provided that the finite volume and finite lattice spacing errors are under control. Our results are extrapolated towards the chiral, infinite volume and continuum limit. Comparisons of our results with previous lattice results from JLQCD collaboration, the new results from E865 experiment, and the results from Chiral Perturbation Theory are made. Good agreements are found.

hep-lat↗
arXiv2001

A New Approach to Construct the Operator on Lattice for the Calculation of Glueball Masses

We develop a new approach to construct the operator on lattice for the calculation of glueball mass, which is based on the connection between the continuum limit of the chosen operator and the quantum number $J^{PC}$ of the state studied. The spin of the state studied is then determined uniquely and directly in numerical simulation. Furthermore, the approach can be applied to calculate the mass of glueball states (ground or excited states) with any spin $J$ including $J\geq 4$. Under the quenched approximation, we present pre-calculation results for the masses of $0^{++}$ state and $2^{++}$ state, which are $1754(85)(86)MeV$ and $2417(56)(117)MeV$, respectively.

hep-lat↗
arXiv2001

An Observation of Autocorrelation of Wilson Loops on Lattice

An observation of autocorrelation of Wilson loops on lattice is presented, especially for the small seperation in Markov chain. We give a possible explanation for such behavior. We also present the dependence of autocorrelation behavior on the chosen operators in this paper.

hep-lat↗
arXiv2001

The Combination of Wilson Loops into $J^{PC}$ Operators in Lattice Pure Gauge Theory

To calculate the mass of glueballs with quantum number $J^{PC}$ in lattice gauge theory by using Wilson loops, we discuss their combinations of Wilson loops into irreducible representation of $O^{PC}$ group for arbitry-link wilson loops. We present a general computational procedure for this combination which is suitable for any finite groups.

hep-lat↗