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Xi Chen

Publications and source records attributed to Xi Chen.

At least 1,135 records · Page 63Linked to original sources

Reverse engineering protocols for controlling spin dynamics

We put forward reverse engineering protocols to shape in time the components of the magnetic field to manipulate a single spin, two independent spins with different gyromagnetic factors, and two interacting spins in short amount of times. We also use these techniques to setup protocols robust against the exact knowledge of the gyromagnetic factors for the one spin problem, or to generate entangled states for two or more spins coupled by dipole-dipole interactions.

quant-ph↗

Fast GPU-Based Seismogram Simulation from Microseismic Events in Marine Environments Using Heterogeneous Velocity Models

A novel approach is presented for fast generation of synthetic seismograms due to microseismic events, using heterogeneous marine velocity models. The partial differential equations (PDEs) for the 3D elastic wave equation have been numerically solved using the Fourier domain pseudo-spectral method which is parallelizable on the graphics processing unit (GPU) cards, thus making it faster compared to traditional CPU based computing platforms. Due to computationally expensive forward simulation of large geological models, several combinations of individual synthetic seismic traces are used for specified microseismic event locations, in order to simulate the effect of realistic microseismic activity patterns in the subsurface. We here explore the patterns generated by few hundreds of microseismic events with different source mechanisms using various combinations, both in event amplitudes and origin times, using the simulated pressure and three component particle velocity fields via 1D, 2D and 3D seismic visualizations.

physics.geo-ph↗

Detection of HC$_3$N maser emission in NGC253

We report the detection of maser emission from the $J=4-3$ transition of HC$_3$N at 36.4~GHz towards the nearby starburst galaxy NGC253. This is the first detection of maser emission from this transition in either a Galactic or extragalactic source. The HC$_3$N maser emission has a brightness temperature in excess of 2500 K and is offset from the center of the galaxy by approximately 18 arcsec (300 pc), but close to a previously reported class~I methanol maser. Both the HC$_3$N and methanol masers appear to arise near the interface between the galactic bar and the central molecular zone, where it is thought that molecular gas is being transported inwards, producing a region of extensive low-velocity shocks.

astro-ph.GA↗

A New 95 GHz Methanol Maser Catalog: I. Data

The Purple Mountain Observatory 13.7 m radio telescope has been used to search for 95 GHz (8$_0$--7$_1$A$^+$) class I methanol masers towards 1020 Bolocam Galactic Plane Survey (BGPS) sources, leading to 213 detections. We have compared the line width of the methanol and HCO$^+$ thermal emission in all of the methanol detections and on that basis we find 205 of the 213 detections are very likely to be masers. This corresponds to an overall detection rate of 95 GHz methanol masers towards our BGPS sample of 20%. Of the 205 detected masers 144 (70%) are new discoveries. Combining our results with those of previous 95 GHz methanol masers searches, a total of four hundred and eighty-one 95 GHz methanol masers are now known, we have compiled a catalog listing the locations and properties of all known 95 GHz methanol masers.

astro-ph.GA↗

Settling the query complexity of non-adaptive junta testing

We prove that any non-adaptive algorithm that tests whether an unknown Boolean function $f: \{0, 1\}^n\to \{0, 1\}$ is a $k$-junta or $ε$-far from every $k$-junta must make $\widetildeΩ(k^{3/2} / ε)$ many queries for a wide range of parameters $k$ and $ε$. Our result dramatically improves previous lower bounds from [BGSMdW13, STW15], and is essentially optimal given Blais's non-adaptive junta tester from [Blais08], which makes $\widetilde{O}(k^{3/2})/ε$ queries. Combined with the adaptive tester of [Blais09] which makes $O(k\log k + k /ε)$ queries, our result shows that adaptivity enables polynomial savings in query complexity for junta testing.

cs.CC↗

Development of a Transferable Reactive Force Field of P/H Systems: Application to the Chemical and Mechanical Properties of Phosphorene

ReaxFF provides a method to model reactive chemical systems in large-scale molecular dynamics simulations. Here, we developed ReaxFF parameters for phosphorus and hydrogen to give a good description of the chemical and mechanical properties of pristine and defected black phosphorene. ReaxFF for P/H is transferable to a wide range of phosphorus and hydrogen containing systems including bulk black phosphorus, blue phosphorene, edge-hydrogenated phosphorene, phosphorus clusters and phosphorus hydride molecules. The potential parameters were obtained by conducting unbiased global optimization with respect to a set of reference data generated by extensive ab initio calculations. We extend ReaxFF by adding a 60° correction term which significantly improves the description of phosphorus clusters. Emphasis has been put on obtaining a good description of mechanical response of black phosphorene with different types of defects. Compared to nonreactive SW potential [1], ReaxFF for P/H systems provides a huge improvement in describing the mechanical properties the pristine and defected black phosphorene and the thermal stability of phosphorene nanotubes. A counterintuitive phenomenon is observed that single vacancies weaken the black phosphorene more than double vacancies with higher formation energy. Our results also show that mechanical response of black phosphorene is more sensitive to defects for the zigzag direction than for the armchair direction. Since ReaxFF allows straightforward extensions to the heterogeneous systems, such as oxides, nitrides, ReaxFF parameters for P/H systems build a solid foundation for the reactive force field description of heterogeneous P systems, including P-containing 2D van der Waals heterostructures, oxides, etc.

physics.comp-ph↗

Self-assembled Nanocapsules in Water: A Molecular Mechanism Study

The self-assembly mechanism of one-end-open carbon nanotubes (CNTs) suspended in an aqueous solution was studied by molecular dynamics simulations. It was shown that two one-end-open CNTs with different diameters can coaxially self-assemble into a nanocapsule. The nanocapsules formed were stable in aqueous solution under ambient conditions, and the pressure inside the nanocapsule was much higher than the ambient pressure due to the van der Waals interactions between two parts of the nanocapsule. The effect of the normalized radius difference, normalized inter-tube distance and aspect ratio of the CNT pairs were systematically explored. The electric field response of nanocapsules was studied with ab initio molecular dynamics simulations, which shows that nanocapsules can be opened by applying an external electric field, due to the polarization of carbon atoms. This discovery not only sheds light on a simple yet robust nanocapsule self-assembly mechanism, but also underpins potential innovations in drug delivery, nano-reactors, etc.

cond-mat.mes-hall↗

Thermal conductivity of armchair black phosphorus nanotubes: a molecular dynamics study

The effects of size, strain, and vacancies on thermal properties of armchair black phosphorus nanotubes are investigated based on qualitative analysis from molecular dynamics simulations. It is found that the thermal conductivity has a remarkable size effect because of the restricted paths for phonon transport, strongly depending on the diameter and length of nanotube. Owing to the intensified low-frequency phonons, axial tensile strain can facilitate thermal transport. On the contrary, compressive strain weakens thermal transport due to the enhanced phonon scattering around the buckling of nanotube. In addition, the thermal conductivity is dramatically reduced by single vacancies, especially upon high defect concentrations.

cond-mat.mtrl-sci↗

Unconventional Localization Prior to Wrinkles and Controllable Surface Patterns of Film Substrate Bilayers Through Patterned Defects in Substrate

A novel bilayer is introduced, consisting of a stiff film adhered to a soft substrate with patterned holes beneath the film and substrate interface. To uncover the transition of surface patterns, two dimensional plane strain simulations are performed on the defected bilayer subjected to uniaxial compression. Although the substrate is considered as the linear elastic material, the presence of defects can directly trigger the formation of locally ridged and then folding configurations from flat surface with a relatively small compressive strain. It is followed by the coexisting phases of folds and wrinkles under further overall compression. This phase transition reverses the traditional transition of wrinkle to ridge or fold for defect free substrates. It is also found that the onset of initial bifurcation is highly dependent on the spatial configuration and geometries of holes, since the interaction of defects allows more strain relief mechanisms beyond wrinkling. Furthermore, a rich diversity of periodic surface topologies, including overall waves, localizations, saw like and coexisting features of folds and wrinkles can be obtained by varying the diameter, depth and spacing of holes as well as compressive strain, which provides a potential approach to engineer various surface patterns for applications.

cond-mat.soft↗

Mechanical analysis of pimple growth and pain level characterization

Pimple is one of the most common skin diseases for humans. The mechanical modeling of pimple growth is very limited. A finite element model is developed to quantify the deformation field with the expansion of follicle, and then the mechanical stimulus is related to the sensation of pain during the development of pimple. Through these models, parametric studies show the dependence of mechanical stimulus and pain level on the pimple-surrounded structures, follicle depth and mechanical properties of the epidermis. The findings in this paper may provide useful insights on prevention or pain relief of pimples, as well as those related to cosmetics and other tissue growth.

physics.med-ph↗

Testing independence with high-dimensional correlated samples

Testing independence among a number of (ultra) high-dimensional random samples is a fundamental and challenging problem. By arranging $n$ identically distributed $p$-dimensional random vectors into a $p \times n$ data matrix, we investigate the problem of testing independence among columns under the matrix-variate normal modeling of data. We propose a computationally simple and tuning-free test statistic, characterize its limiting null distribution, analyze the statistical power and prove its minimax optimality. As an important by-product of the test statistic, a ratio-consistent estimator for the quadratic functional of a covariance matrix from correlated samples is developed. We further study the effect of correlation among samples to an important high-dimensional inference problem --- large-scale multiple testing of Pearson's correlation coefficients. Indeed, blindly using classical inference results based on the assumed independence of samples will lead to many false discoveries, which suggests the need for conducting independence testing before applying existing methods. To address the challenge arising from correlation among samples, we propose a "sandwich estimator" of Pearson's correlation coefficient by de-correlating the samples. Based on this approach, the resulting multiple testing procedure asymptotically controls the overall false discovery rate at the nominal level while maintaining good statistical power. Both simulated and real data experiments are carried out to demonstrate the advantages of the proposed methods.

math.ST↗

Inverse engineering and composite pulses for magnetization reversal

We put forward a method for achieving fast and robust for magnetization reversal in a nanomagnet, by combining the inverse engineering and composite pulses. The magnetic fields, generated by microwave with time-dependent frequency, are first designed inversely within short operation time, and composite pulses are further incorporated to improve the fidelity through reducing the effect of magnetic anisotropy. The high-fidelity magnetization reversals are illustrated with numerical examples, and visualized on Bloch sphere. The influence of damping parameters, relevant to the pulse sequence, is finally discussed based on Landau-Lifshitz-Gilber equation. These results pave the way for precise but fast magnetization reversal or switching, with the applications in high density information storage and processing.

quant-ph↗

Variational Lossy Autoencoder

Representation learning seeks to expose certain aspects of observed data in a learned representation that's amenable to downstream tasks like classification. For instance, a good representation for 2D images might be one that describes only global structure and discards information about detailed texture. In this paper, we present a simple but principled method to learn such global representations by combining Variational Autoencoder (VAE) with neural autoregressive models such as RNN, MADE and PixelRNN/CNN. Our proposed VAE model allows us to have control over what the global latent code can learn and , by designing the architecture accordingly, we can force the global latent code to discard irrelevant information such as texture in 2D images, and hence the VAE only "autoencodes" data in a lossy fashion. In addition, by leveraging autoregressive models as both prior distribution $p(z)$ and decoding distribution $p(x|z)$, we can greatly improve generative modeling performance of VAEs, achieving new state-of-the-art results on MNIST, OMNIGLOT and Caltech-101 Silhouettes density estimation tasks.

cs.LG↗

Predicting a Two-dimensional P2S3 Monolayer: A Global Minimum Structure

Based on extensive evolutionary algorithm driven structural search, we propose a new diphosphorus trisulfide (P2S3) 2D crystal, which is dynamically, thermally and chemically stable as confirmed by the computed phonon spectrum and ab initio molecular dynamics simulations. This 2D crystalline phase of P2S3 corresponds to the global minimum in the Born-Oppenheimer surface of the phosphorus sulfide monolayers with 2:3 stoichiometries. It is a wide band gap (4.55 eV) semiconductor with P-S σ bonds. The electronic properties of P2S3 structure can be modulated by stacking into multilayer P2S3 structures, forming P2S3 nanoribbons or rolling into P2S3 nanotubes, expanding its potential applications for the emerging field of 2D electronics.

cond-mat.mtrl-sci↗

A note on the approximate admissibility of regularized estimators in the Gaussian sequence model

We study the problem of estimating an unknown vector $θ$ from an observation $X$ drawn according to the normal distribution with mean $θ$ and identity covariance matrix under the knowledge that $θ$ belongs to a known closed convex set $Θ$. In this general setting, Chatterjee (2014) proved that the natural constrained least squares estimator is "approximately admissible" for every $Θ$. We extend this result by proving that the same property holds for all convex penalized estimators as well. Moreover, we simplify and shorten the original proof considerably. We also provide explicit upper and lower bounds for the universal constant underlying the notion of approximate admissibility.

math.ST↗

Humidity Effect on Diffusion and Structure of a Moisture-Swing CO2 Sorbent

Ion hydrations are ubiquitous in natural and fundamental processes. A quantitative analysis of a novel CO2 sorbent driven by ion hydrations was presented by molecular dynamics (MD). We explored the humidity effect on the diffusion and structure of ion hydrations in CO2 sorbent, as well as the working mechanism of the moisture-swing CO2 sorbent. The discovery of the diffusion coefficients of ions at different humidity levels can be applied to design a new CO2 sorbent with superior performance. The molecular structure analysis shows a higher precipitation rate of HCO3- ions than CO32- ions in a dry surrounding, which leads to a more alkaline surrounding on CO2 sorbent that may promote the absorption of CO2.

physics.chem-ph↗

Estimation of the volume of the left ventricle from MRI images using deep neural networks

Segmenting human left ventricle (LV) in magnetic resonance imaging (MRI) images and calculating its volume are important for diagnosing cardiac diseases. In 2016, Kaggle organized a competition to estimate the volume of LV from MRI images. The dataset consisted of a large number of cases, but only provided systole and diastole volumes as labels. We designed a system based on neural networks to solve this problem. It began with a detector combined with a neural network classifier for detecting regions of interest (ROIs) containing LV chambers. Then a deep neural network named hypercolumns fully convolutional network was used to segment LV in ROIs. The 2D segmentation results were integrated across different images to estimate the volume. With ground-truth volume labels, this model was trained end-to-end. To improve the result, an additional dataset with only segmentation label was used. The model was trained alternately on these two datasets with different types of teaching signals. We also proposed a variance estimation method for the final prediction. Our algorithm ranked the 4th on the test set in this competition.

cs.CV↗

The catalytic effect of water in basic hydrolysis of CO$_3{}^{2_-}$ in hydrated clusters

The hydration of ions in nanoscale hydrated clusters is ubiquitous and essential in many physical and chemical processes. Here we show that the hydrolysis reaction is strongly affected by relative humidity. The hydrolysis of CO32- with n = 1-8 water molecules is investigated by ab initio method. For n = 1-5 water molecules, all the reactants follow a stepwise pathway to the transition state. For n = 6-8 water molecules, all the reactants undergo a direct proton transfer to the transition state with overall lower activation free energy. The activation free energy of the reaction is dramatically reduced from 10.4 to 2.4 kcal/mol as the number of water molecules increases from 1 to 6. Meanwhile, the degree of the hydrolysis of CO32- is significantly increased compared to the bulk water solution scenario. The incomplete hydration shells facilitate the hydrolysis of CO32- with few water molecules (especially for n = 6) to be not only thermodynamically favorable but also kinetically favorable. This discovery provides valuable insights for designing efficient sorbents including that for CO2 air capture.

physics.atm-clus↗