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Q. Wu

Publications and source records attributed to Q. Wu.

At least 73 records · Page 4Linked to original sources

{\it Ab initio} perturbation calculations of realistic effective interactions in the Hartree--Fock basis

We perform two types of {\it ab initio} perturbation calculations of effective interactions in the Hartree--Fock (HF) basis instead of the harmonic-oscillator basis: one is called the Brillouin--Wigner (BW) perturbation and another is called the Rayleigh--Schrödinger (RS) perturbation. It is shown that the HF basis provides good convergences. We also benchmark the perturbation calculations with the in-medium similarity renormalization group (IM-SRG) which is a nonperturbative method. In the HF basis some-type perturbation diagrams can be cancelled out, while the cancellation does not happen in the harmonic-oscillator basis. We have investigated the {\it sd} shell using the chiral N$^3$LO potential softened by $V_{\text{low-}k}$. With the low-momentum N$^3$LO potential, we first perform the spherical HF calculations for the $^{16}$O core of the {\it sd} shell, and the realistic effective two-body interactions for the HF {\it sd}-shell space can be derived by the perturbation calculations. The calculations give simultaneously effective single-particle energies and excitation spectra of two valence particle systems (i.e., $^{18}$O, $^{18}$F, and $^{18}$Ne in the {\it sd} shell). Convergences have been analyzed order by order. The perturbation calculations are in fairly good agreement with nonperturbative method IM-SRG. We find that the HF RS perturbation gives even better results compared with the BW perturbation. The HF realistic effective interactions derived by the perturbations can be used for further shell-model calculations.

nucl-th↗

Design and Vertical Tests of SPS-series Double-Quarter Wave (DQW) Cavity Prototypes for the HL-LHC Crab Cavity System

Crab crossing is essential for high-luminosity colliders. The High Luminosity Large Hadron Collider (HL-LHC) will equip one of its Interaction Points (IP1) with Double-Quarter Wave (DQW) crab cavities. A DQW cavity is a new generation of deflecting RF cavities that stands out for its compactness and broad frequency separation between fundamental and first high-order modes. The deflecting kick is provided by its fundamental mode. Each HL-LHC DQW cavity shall provide a nominal deflecting voltage of 3.4 MV, although up to 5.0 MV may be required. A Proof-of-Principle (PoP) DQW cavity was limited by quench at 4.6 MV. This paper describes a new, highly optimized cavity, designated DQW SPS-series, which satisfies dimensional, cryogenic, manufacturing and impedance requirements for beam tests at SPS and operation in LHC. Two prototypes of this DQW SPS-series were fabricated by US industry and cold tested after following conventional SRF surface treatment. Both units outperformed the PoP cavity, reaching a deflecting voltage of 5.3-5.9 MV. This voltage - the highest reached by a DQW cavity - is well beyond the nominal voltage of 3.4 MV and may even operate at the ultimate voltage of 5.0MVwith sufficient margin. This paper covers fabrication, surface preparation and cryogenic RF test results and implications.

physics.acc-ph↗

Operation of the 56 MHz Superconducting RF Cavity in RHIC with Higher Order Mode Damper

A 56 MHz superconducting RF cavity was designed and installed in the Relativistic Heavy Ion Collider (RHIC). It is the first superconducting quarter wave resonator (QWR) operating in a high-energy storage ring. We discuss herein the cavity operation with Au+Au collisions, and with asymmetrical Au+He3 collisions. The cavity is a storage cavity, meaning that it becomes active only at the energy of experiment, after the acceleration cycle is completed. With the cavity at 300 kV, an improvement in luminosity was detected from direct measurements, and the bunch length has been reduced. The uniqueness of the QWR demands an innovative design of the higher order mode dampers with high-pass filters, and a distinctive fundamental mode damper that enables the cavity to be bypassed during the acceleration stage.

physics.acc-ph↗

Chiral NNLO$_{\text{sat}}$ descriptions of nuclear multipole resonances within the random phase approximation

We study nuclear multipole resonances in the framework of the random phase approximation using the chiral potential NNLO$_{\text{sat}}$. This potential includes two- and three-body terms that has been simultaneously optimized to low-energy nucleon-nucleon scattering data and selected nuclear structure data. Our main foci have been the isoscalar monopole, isovector dipole, and isoscalar quadrupole resonances of the closed-shell nuclei, $^4$He, $^{16,22,24}$O, and $^{40,48}$Ca. These resonance modes have been widely observed in experiment. In addition, we use a renormalized chiral potential $V_{\text{low-}k}$, based on the N$^3$LO two-body potential by Entem and Machleidt [Phys. Rev. \textbf{C68}, 041001 (2011)]. This introduces a dependency on the cutoff parameter used in the normalization procedure as reported in previous works by other groups. While NNLO$_{\text{sat}}$ can reasonably reproduce observed multipole resonances, it is not possible to find a single cutoff parameter for the $V_{\text{low-}k}$ potential that simultaneously describe the different types of resonance modes. The sensitivity to the cutoff parameter can be explained by missing induced three-body forces in the calculations. Our results for neutron-rich $^{22,24}$O show a mixing nature of isoscalar and isovector resonances in the dipole channel at low energies. We predict that $^{22}$O and $^{24}$O have low-energy isoscalar quadrupole resonances at energies lower than 5 MeV.

nucl-th↗

First-principles investigation of elastic anomalies in niobium at high pressure and temperature

Niobium does not show any structure transition up to very high pressures. Nonetheless, by using density functional theory, we demonstrate in this work that it exhibits striking softening in elastic moduli C44 and C' at a pressure from 20 to 150 GPa. A novel anomaly softening in C44 from 275 to 400 GPa is also predicted. The physics behind these two anomalies is elaborated by electronic structure calculations, which revealed that they are actually different, with the first one directly relates to an underlying rhombohedral distortion whereas the latter originates in an electronic topological transition. The large magnitude of the softening leads to a remarkable elastic anisotropy in both the shear and the Young's moduli of Nb. Further investigation shows that thermo-electrons have an important role on these anomalies. This effect has not been noticed before. With increased electronic temperature, it is found that all anomalies (both the elastic softening and anisotropy) in Nb are gradually diminished, effectively giving rise to a temperature-induced hardening phenomenon.

cond-mat.mtrl-sci↗

The response of jammed packings to thermal fluctuations

We focus on the response of mechanically stable (MS) packings of frictionless, bidisperse disks to thermal fluctuations, with the aim of quantifying how nonlinearities affect system properties at finite temperature. Packings of disks with purely repulsive contact interactions possess two main types of nonlinearities, one from the form of the interaction potential and one from the breaking (or forming) of interparticle contacts. To identify the temperature regime at which the contact-breaking nonlinearities begin to contribute, we first calculated the minimum temperatures $T_{cb}$ required to break a single contact in the MS packing for both single and multiple eigenmode perturbations of the $T=0$ MS packing. We then studied deviations in the constant volume specific heat $C_V$ and deviations of the average disk positions $Δr$ from their $T=0$ values in the temperature regime $T_{cb} < T < T_{r}$, where $T_r$ is the temperature beyond which the system samples the basin of a new MS packing. We find that the deviation in the specific heat per particle $Δ{\overline C}_V^0/{\overline C}_V^0$ relative to the zero temperature value ${\overline C}_V^0$ can grow rapidly above $T_{cb}$, however, the deviation $Δ{\overline C}_V^0/{\overline C}_V^0$ decreases as $N^{-1}$ with increasing system size. To characterize the relative strength of contact-breaking versus form nonlinearities, we measured the ratio of the average position deviations $Δr^{ss}/Δr^{ds}$ for single- and double-sided linear and nonlinear spring interactions. We find that $Δr^{ss}/Δr^{ds} > 100$ for linear spring interactions and is independent of system size.

cond-mat.soft↗

Prediction of a Mobile Solid State in Dense Hydrogen under High Pressures

Solid rigidity and liquid-scale mobility are thought incompatible in elemental substances. One cannot have an elemental solid that is long-range positionally ordered wherein the atoms flow like in a liquid simultaneously. The only exception might be the hypothetical supersolid state of 4He. In this work, we demonstrate that such exotic state could exist even in the classical regime. Using ab initio molecular dynamics (AIMD) and ab initio path integral molecular dynamics (AI-PIMD), a novel state of dense hydrogen which simultaneously has both long-range spatial ordering and liquid-scale atomic mobility is discovered at 1~1.5 TPa (1 TPa=10000000 atmospheric pressures). The features distinct from a normal solid and liquid are carefully characterized, with the stability and melting behavior are investigated. Extensive AI-PIMD simulations further revealed that this state might be (meta-)stable even at ultra-low temperatures, suggesting an emerging candidate for an alternative type of supersolid state in dense metallic hydrogen.

cond-mat.mtrl-sci↗

Stability of rhombohedral phases in vanadium at high-pressure and high-temperature: first-principles investigations

The pressure-induced transition of vanadium from BCC to rhombohedral structures is unique and intriguing among transition metals. In this work, the stability of these phases is revisited by using density functional theory. At finite temperatures, a novel transition of rhombohedral phases back to BCC phase induced by thermal electrons is discovered. This reentrant transition is found not driven by phonons, instead it is the electronic entropy that stabilizes the latter phase, which is totally out of expectation. Parallel to this transition, we find a peculiar and strong increase of the shear modulus C44 with increasing temperature. It is counter-intuitive in the sense that it suggests an unusual harding mechanism of vanadium by temperature. With these stability analyses, the high-pressure and finite-temperature phase diagram of vanadium is proposed. Furthermore, the dependence of the stability of RH phases on the Fermi energy and chemical environment is investigated. The results demonstrate that the position of the Fermi level has a significant impact on the phase stability, and follows the band-filling argument. Besides the Fermi surface nesting, we find that the localization/delocalization of the d orbitals also contributes to the instability of rhombohedral distortions in vanadium.

cond-mat.mtrl-sci↗

Brueckner-Hartree-Fock and its renormalized calculations for finite nuclei

We have performed self-consistent Brueckner-Hartree-Fock (BHF) and its renormalized theory to the structure calculations of finite nuclei. The $G$-matrix is calculated within the BHF basis, and the exact Pauli exclusion operator is determined by the BHF spectrum. Self-consistent occupation probabilities are included in the renormalized Brueckner-Hartree-Fock (RBHF). Various systematics and convergences are studies. Good results are obtained for the ground-state energy and radius. RBHF can give a more reasonable single-particle spectrum and radius. We present a first benchmark calculation with other {\it ab initio} methods using the same effective Hamiltonian. We find that the BHF and RBHF results are in good agreement with other $\it{ab}$ $\it{initio}$ methods.

nucl-th↗

Lattice stability and high pressure melting mechanism of dense hydrogen up to 1.5 TPa

Lattice stability and metastability, as well as melting, are important features of the physics and chemistry of dense hydrogen. Using ab initio molecular dynamics (AIMD), the classical superheating limit and melting line of metallic hydrogen are investigated up to 1.5 TPa. The computations show that the classical superheating degree is about 100 K, and the classical melting curve becomes flat at a level of 350 K when beyond 500 GPa. This information allows us to estimate the well depth and the potential barriers that must be overcome when the crystal melts. Inclusion of nuclear quantum effects (NQE) using path integral molecular dynamics (PIMD) predicts that both superheating limit and melting temperature are lowered to below room temperature, but the latter never reach absolute zero. Detailed analysis indicates that the melting is thermally activated, rather than driven by pure zero-point motion (ZPM). This argument was further supported by extensive PIMD simulations, demonstrating the stability of Fddd structure against liquefaction at low temperatures.

cond-mat.mtrl-sci↗

Generating Searchable Public-Key Ciphertexts with Hidden Structures for Fast Keyword Search

Existing semantically secure public-key searchable encryption schemes take search time linear with the total number of the ciphertexts. This makes retrieval from large-scale databases prohibitive. To alleviate this problem, this paper proposes Searchable Public-Key Ciphertexts with Hidden Structures (SPCHS) for keyword search as fast as possible without sacrificing semantic security of the encrypted keywords. In SPCHS, all keyword-searchable ciphertexts are structured by hidden relations, and with the search trapdoor corresponding to a keyword, the minimum information of therelations is disclosed to a search algorithm as the guidance to find all matching ciphertexts efficiently. We construct a simple SPCHS scheme from scratch in which the ciphertexts have a hidden star-like structure. We prove our scheme to be semantically secure based on the decisional bilinear Diffie-Hellman assumption in the Random Oracle (RO) model. The search complexity of our scheme is dependent on the actual number of the ciphertexts containing the queried keyword, rather than the number of all ciphertexts. Finally, we present a generic SPCHS construction from anonymous identity-based encryption and collision-free full-identity malleable Identity-Based Key Encapsulation Mechanism (IBKEM) with anonymity. We illustrate two collision-free full-identity malleable IBKEM instances, which are semantically secure and anonymous, respectively, in the RO and standard models. The latter instance enables us to construct an SPCHS scheme with semantic security in the standard model.

cs.CR↗

Ultrafast Dynamics Evidence of High Temperature Superconductivity in Single Unit Cell FeSe on SrTiO3

The recent observation of high-temperature superconductivity in one unit cell thick FeSe on SrTiO3 (1UC FeSe/STO)1 initiated a new pathway to realizing even higher transition temperature (Tc) superconductors and established a promising different paradigm to understand the mechanism of high temperature superconductivity2-10. However, independent confirmation on the high Tc value, the role of capping layer in reducing Tc, and the underlying mechanism of the novel superconductivity remain open questions11. Here we report a time-resolved study of the excited state ultrafast dynamics of 1UC FeSe/STO protected by 2UC FeTe capping layer, and identify the superconducting Tc to be 68 (-5/+2) K. We found a coherent acoustic phonon mode in the capping layer, which provides an additional decay channel to the gluing bosons and explains the reduced Tc value. Our investigation supports the phonon pairing scenario.

cond-mat.supr-con↗

eRHIC Design Study: An Electron-Ion Collider at BNL

This document presents BNL's plan for an electron-ion collider, eRHIC, a major new research tool that builds on the existing RHIC facility to advance the long-term vision for Nuclear Physics to discover and understand the emergent phenomena of Quantum Chromodynamics (QCD), the fundamental theory of the strong interaction that binds the atomic nucleus. We describe the scientific requirements for such a facility, following up on the community-wide 2012 white paper, 'Electron-Ion Collider: the Next QCD Frontier', and present a design concept that incorporates new, innovative accelerator techniques to provide a cost-effective upgrade of RHIC with polarized electron beams colliding with the full array of RHIC hadron beams. The new facility will deliver electron-nucleon luminosity of 10^33-10^34 cm-1sec-1 for collisions of 15.9 GeV polarized electrons on either 250 GeV polarized protons or 100 GeV/u heavy ion beams. The facility will also be capable of providing an electron beam energy of 21.2 GeV, at reduced luminosity. We discuss the on-going R&D effort to realize the project, and present key detector requirements and design ideas for an experimental program capable of making the 'golden measurements' called for in the EIC White Paper.

physics.acc-ph↗

Theoretical assessment on the possibility of constraining point defect energetics by pseudo-phase transition pressures

Making use of the energetics and equations of state of defective uranium dioxide that calculated with first-principles method, we demonstrate a possibility of constraining the formation energy of point defects by measuring the transition pressures of the corresponding pseudo-phase of defects. The mechanically stable range of fluorite structure of UO2, which dictates the maximum possible pressure of relevant pseudo-phase transitions, gives rise to defect formation energies that span a wide band and overlap with the existing experimental estimates. We reveal that the knowledge about pseudo-phase boundaries can not only provide important information of energetics that is helpful for reducing the scattering in current estimates, but also be valuable for guiding theoretical assessments, even to validate or disprove a theory. In order to take defect interactions into account and to extrapolate the physical quantities at finite stoichiometry deviations to that near the stoichiometry, we develop a general formalism to describe the thermodynamics of a defective system. We also show that it is possible to include interactions among defects in a simple expression of point defect model (PDM) by introducing an auxiliary constant mean-field. This generalization of the simple PDM leads to great versatility that allows one to study nonlinear effects of stoichiometry deviation on materials' behavior. It is a powerful tool to extract the defect energetics from finite defect concentrations to the dilute limit. Besides these, the full content of the theoretical formalism and some relevant and interesting issues, including reentrant pseudo-transition, multi-defect coexistence, charged defects, and possible consequence of instantaneous defective response in a quantum crystal, are explored and discussed.

cond-mat.mtrl-sci↗

Selective surface functionalization at regions of high local curvature in graphene

Monolayer graphene was deposited on a Si wafer substrate decorated with SiO2 nanoparticles (NPs) and then exposed to aryl radicals that were generated in situ from their diazonium precursors. Using micro-Raman mapping, the aryl radicals were found to selectively react with the regions of graphene that covered the NPs. The enhanced chemical reactivity was attributed to the increased strain energy induced by the local mechanical deformation of the graphene.

cond-mat.mtrl-sci↗

Anomalies in non-stoichiometric uranium dioxide induced by pseudo-phase transition of point defects

A uniform distribution of point defects in an otherwise perfect crystallographic structure usually describes a unique pseudo phase of that state of a non-stoichiometric material. With off-stoichiometric uranium dioxide as a prototype, we show that analogous to a conventional phase transition, these pseudo phases also will transform from one state into another via changing the predominant defect species when external conditions of pressure, temperature, or chemical composition are varied. This exotic transition is numerically observed along shock Hugoniots and isothermal compression curves in UO2 with first-principles calculations. At low temperatures, it leads to anomalies (or quasi-discontinuities) in thermodynamic properties and electronic structures. In particular, the anomaly is pronounced in both shock temperature and the specific heat at constant pressure. With increasing of the temperature, however, it transforms gradually to a smooth cross-over, and becomes less discernible. The underlying physical mechanism and characteristics of this type of transition are encoded in the Gibbs free energy, and are elucidated clearly by analyzing the correlation with the variation of defect populations as a function of pressure and temperature. The opportunities and challenges for a possible experimental observation of this phase change are also discussed.

cond-mat.mtrl-sci↗

High-pressure behavior of dense hydrogen up to 3.5 TPa from density functional theory calculations

Structural behavior and equation of state of atomic and molecular crystal phases of dense hydrogen at pressures up to 3.5 TPa are systematically investigated with density functional theory. The results indicate that the Vinet EOS model that fitted to low-pressure experimental data overestimates the compressibility of dense hydrogen drastically when beyond 500 GPa. Metastable multi-atomic molecular phases with weak covalent bonds are observed. When compressed beyond about 2.8 TPa, these exotic low-coordinated phases become competitive with the groundstate and other high-symmetry atomic phases. Using nudged elastic band method, the transition path and the associated energy barrier between these high-pressure phases are evaluated. In particular for the case of dissociation of diatomic molecular phase into the atomic metallic Cs-IV phase, the existent barrier might raise the transition pressure about 200 GPa at low temperatures. Plenty of flat and broad basins on the energy surface of dense hydrogen have been discovered, which should take a major responsibility for the highly anharmonic zero point vibrations of the lattice, as well as the quantum structure fluctuations in some extreme cases. At zero pressure, our analysis demonstrates that all of these atomic phases of dense hydrogen known so far are unquenchable. NOTE: In the previous version of this paper (1010.3392v1) we made a mistake when evaluating the enthalpy of Cs-IV phase, which misled us to a conclusion that taking the multi-atomic molecular phases as the ground-state. After corrected this error, however, the atomic phase of Cs-IV becomes the static structure with the lowest enthalpy. Current version not only includes a substantial improvement of the previous one, but also contains many NEW interesting topics that were not touched before.

cond-mat.other↗

Extension of the Wu-Jing equation of state (EOS) for highly porous materials: calculations to validate and compare the thermoelectron model

In order to verify and validate the newly developed thermoelectron equation of state (EOS) model that is based on the Wu-Jing (W-J) EOS, calculations of shock compression behavior have been made on five different porous metals-iron, copper, lead, tungsten, and aluminum-which are commonly used as standards. The model was used to calculate the Hugoniot, shock temperature, sound velocity, and unloading isentrope for these materials and comparisons were made to previous calculations and available data. Based on these comparisons, it is felt that the model provides information in good agreement with the corresponding experimental and theoretical data published previously. This suggests that the new model can satisfactorily describe the properties of shocked porous materials over a wide range of pressure and porosity.

cond-mat.mtrl-sci↗