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Oxygen vacancies (VO's) are of paramount importance in influencing the properties and applications of ceria (CeO2). Yet, comprehending the distribution and nature of the VO's poses a significant challenge due to the vast number of electronic configurations and intricate many-body interactions among VO's and polarons (Ce3+'s). In this study, we employed a combination of LASSO regression in machine learning, in conjunction with a cluster expansion model and first-principles calculations to decouple the interactions among the Ce3+'s and VO's, thereby circumventing the limitations associated with sampling electronic configurations. By separating these interactions, we identified specific electronic configurations characterized by the most favorable VO-Ce3+ attractions and the least Ce3+-Ce3+/VO-VO repulsions, which are crucial in determining the stability of vacancy structures. Through more than 10^8 Metropolis Monte Carlo samplings of Vo's and Ce3+ in the near-surface of CeO2(111), we explored potential configurations within an 8x8 supercell. Our findings revealed that oxygen vacancies tend to aggregate and are most abundant in the third oxygen layer, primarily due to extensive geometric relaxation-an aspect previously overlooked. This behavior is notably dependent on the concentration of Vo. This work introduces a novel theoretical framework for unraveling the complex vacancy structures in metal oxides, with potential applications in redox and catalytic chemistry., Comment: 22 pages, 1 scheme, 5 figures

In this paper, we analyze an abstract thermoelastic system, where the heat conduction follows the Cattaneo law. Zero becomes a spectrum point of the system operator when the coupling and thermal damping parameters of the system satisfy specific conditions. We obtain the decay rates of solutions to the system with or without the inertial term. Furthermore, the decay rate of the system without inertial terms is shown to be optimal., Comment: 15 pages

We carry out a detailed study of medium modifications on momentum and angular correlations between a large transverse momentum hadron and a $Z/\gamma$ trigger in relativistic heavy-ion collisions within a perturbative QCD parton model improved by the Sudakov resummation technique. The total energy loss of a hard parton propagating inside the medium is employed to modify the fragmentation function, while the medium-induced transverse momentum broadening is included in the resummation approach, and both of them are related to the jet transport parameter and obtained by the high-twist formalism. We obtain good agreements with the existing data on transverse momentum and azimuthal angular correlations for the $Z/\gamma$-hadron pairs in $pp$ and $AA$ collisions, and predict the correlations for the $\gamma$-hadron in central $PbPb$ collisions at 5.02 TeV. The numerical analyses for the $Z/\gamma$-hadron in central $PbPb$ collisions show that the normalized angular distribution is decorrelated due to the medium-induced transverse momentum broadening, however, the angular correlation is enhanced due to the parton energy loss, namely anti-broadening. The observed modification of the angular correlation is a result of the competition between the broadening and the anti-broadening. This work provides a reliable theoretical tool for a comprehensive and precise study of jet quenching in relativistic heavy-ion collisions., Comment: 19 pages, 20 figures

This paper studies the stability of an abstract thermoelastic system with Cattaneo's law, which describes finite heat propagation speed in a medium. We introduce a parameters region containing coupling, thermal dissipation, and possible inertial characteristics. The parameters region is partitioned into distinct subregions based on the spectral properties of the infinitesimal generator of the corresponding semigroup. By a careful estimation of the resolvent, we obtain distinct polynomial decay rates for systems with parameters located in different subregions. Furthermore, the optimality of these decay rates is proved. Finally, we apply our results to several coupled systems of partial differential equations., Comment: typos corrected

In this paper, the asymptotic behavior of abstract strongly coupled hyperbolic equations with one infinite memory term is investigated, one specific case of which is the model for describing the dynamical behaviour of magnetic effected piezoelectric beams. A fractional operator is involved in the memory term depending on the parameter $a\in [0,1)$. By means of frequency domain analysis, it is proved that the system can be indirectly stabilized polynomially by only one infinite memory term located on one of these two strongly coupled PDEs, and the explicit decay rates given as $t^{-\frac{1}{2-2a}}$ are only dependent on the parameter $a$. When considering the exponentially decreasing kernel, a detailed spectral analysis for the system operator is further provided. Specifically, the asymptotic expressions of the eigenvalues of the system operator are derived. Based on the expressions of the eigenvalues, the optimality of the obtained decay rates is further verified for this system.

Hardness is a materials' property with implications in several industrial fields, including oil and gas, manufacturing, and others. However, the relationship between this macroscale property and atomic (i.e., microscale) properties is unknown and in the last decade several models have unsuccessfully tried to correlate them in a wide range of chemical space. The understanding of such relationship is of fundamental importance for discovery of harder materials with specific characteristics to be employed in a wide range of fields. In this work, we have found a physical descriptor for Vickers hardness using a symbolic-regression artificial-intelligence approach based on compressed sensing. SISSO (Sure Independence Screening plus Sparsifying Operator) is an artificial-intelligence algorithm used for discovering simple and interpretable predictive models. It performs feature selection from up to billions of candidates obtained from several primary features by applying a set of mathematical operators. The resulting sparse SISSO model accurately describes the target property (i.e., Vickers hardness) with minimal complexity. We have considered the experimental values of hardness for binary, ternary, and quaternary transition-metal borides, carbides, nitrides, carbonitrides, carboborides, and boronitrides of 61 materials, on which the fitting was performed. The found descriptor is a non-linear function of the microscopic properties, with the most significant contribution being from a combination of Voigt-averaged bulk modulus, Poisson's ratio, and Reuss-averaged shear modulus. Results of high-throughput screening of 635 candidate materials using the found descriptor suggest the enhancement of material's hardness through mixing with harder yet metastable structures (e.g., metastable VN, TaN, ReN$_2$, Cr$_3$N$_4$, and ZrB$_6$ all exhibit high hardness).

HS 2325+8205 is a long-period eclipsing dwarf nova with an orbital period above the period gap (Porb>3 h) and is reported to be a Z Cam-type dwarf nova. Based on the photometry of the Transiting Exoplanet Survey Satellite (TESS), the light variation and the quasi-periodic oscillation (QPOs) of HS 2325+8205 are studied. Using Continuous Wavelet Transform (CWT), Lomb-Scargle Periodogram (LSP), and sine fitting methods, we find for the first time that there is a QPOs of ~ 2160s in the long outburst top light curves of HS 2325+8205. Moreover, we find that the oscillation intensity of the QPOs of HS 2325+8205 is related to the orbital phase, and the intensity in orbital phases 0.5-0.9 are stronger than in orbital phases 0.1-0.5. Therefore, the relationship between the oscillation intensity of QPOs and the orbital phase may become a research window for the origin of QPOs. In addition, we use the LSP to correct the orbital period of HS 2325+8205 as 0.19433475(6) d.

The band gap is an important parameter of semiconductor materials that influences several functional properties, in particular optical properties. However, a fast and reliable first-principles prediction of band gaps remains a challenging problem. Standard DFT approximations tend to strongly underestimate band gaps, while the more accurate $GW$ and hybrid functionals are much more computationally demanding and unsuitable for high-throughput screening. In this work, we have performed an extensive benchmark of several approximations with different computational complexity ($G_{0}W_{0}$@PBEsol, HSE06, PBEsol, mBJ, PBEsol$-1/2$, and ACBN0) to evaluate and compare their performance in predicting the band gap of semiconductors. The benchmark is based on 114 binary semiconductors of different compositions and crystal structures, where about half of them have experimental band gaps. We find that, as expected, $G_{0}W_{0}$@PBEsol performs well relative to the experiment, with a noticeable underestimation of the band gaps by about 14% on average. Surprisingly, $G_{0}W_{0}$@PBEsol is followed closely by the much computationally cheaper pseudo-hybrid ACBN0 functional, showing an excellent performance with respect to experimental data. The meta-GGA mBJ functional also performs well relative to the experiment, even slightly better than $G_{0}W_{0}$@PBEsol in terms of mean absolute (percentage) error. The HSE06 and PBEsol$-1/2$ schemes perform overall worse than ACBN0 and mBJ schemes but much better than PBEsol. Comparing the calculated band gaps on the whole data set (including the samples with no experimental band gap), we find that HSE06 and mBJ have excellent agreement with respect to the reference $G_{0}W_{0}$@PBEsol band gaps. Thus, we propose the mBJ band gaps as economic descriptors when developing artificial intelligence models for high-throughput screening of semiconductor band gaps.

A crucial challenge to the ongoing endeavor of spaceborne gravitational wave (GW) detection resides in the laser phase noise, typically 7 to 8 orders of magnitude above the inevitable noise. The arm locking technique was proposed to suppress the noise in pre-stabilized laser beams. Based on the feedback control theory, it is implemented by appropriate design of the signal routing architecture, particularly the controllers' transfer functions. Theoretically and experimentally, the technique has been demonstrated to be capable of suppressing the laser phase noise by approximately 2-4 orders of magnitude while taking into account various aspects such as the gain and distribution of nulls in the Bode plot and the laser frequency pulling associated with the Doppler frequency subtraction. Consequently, the resultant noise floor is composed of the sources attributed to the clock jitter, optical bench motion, test mass fluctuations, shot-noise phase fluctuations at the photodetectors, whereas the magnitudes of these noises largely remain unchanged during the process. Besides, the original GW signals are deformed through the arm-locking control loop and therefore bear specific features governed by the associated arm-locking scheme. Nonetheless, the remaining laser phase noise from the arm-locking feedback routing settles within the capability threshold of the time-delay interferometry (TDI). In this regard, it is generally understood that the output of arm locking furnishes the input of TDI, through which the residual noise is further reduced to the desired level at a post-processing stage. In this work, we investigate the specific schemes regarding how the arm locking output is processed further by the TDI algorithm. Specific forms of the TDI combinations are derived in accordance with suppressed laser phase noise and deformed signals of GW.

The time delay interferometry (TDI) is an algorithm proposed to suppress the laser frequency noise in space-borne gravitational wave detectors. As a post-processing technique, it is implemented by constructing a virtual equal arm interferometer through an appropriate combination of the time-shifted data streams. Such an approach is tailored to the intrinsic feature of the space-based gravitational wave detection, namely, the distances between spacecraft are governed by the orbit dynamics and thus can not be held constant. Among different implementations, the geometric TDI was introduced as a method of exhaustion to evaluate the second-generation TDI combinations. The applications of the algebraic approach based on computational algebraic geometry, on the other hand, are mostly restricted to the first and the modified first-generation TDI. Besides, geometric TDI furnishes an intuitive physical interpretation about the synthesis of the virtual optical paths. In this paper, the geometric TDI is utilized to investigate the modified second-generation TDI combinations in conjunction with a ternary search algorithm. The distinction between the second-generation and modified second-generation TDI solutions is elaborated regarding the rate of change of the arm lengths with respect to the opposite cyclic directions. For the sixteen-link combinations, forty second-generation TDI solutions are recovered, among which nine of them are identified as the modified second-generation ones.

Nuclear modification factors of single hadrons and dihadrons at large transverse momentum ($p_{\rm T}$) in high-energy heavy-ion collisions are studied in a next-to-leading-order (NLO) perturbative QCD parton model. Parton fragmentation functions (FFs) in $A+A$ collisions are modified due to jet energy loss which is proportional to the jet transport coefficient $\hat{q}$ characterizing the interaction between the parton jet and the produced medium. By confronting 6 current sets of NLO parton FFs for large $p_{\rm T}$ hadron productions, we extract $\hat{q}$ quantitatively via a global fit to data for both single hadron and dihadron suppressions, and obtain $\hat{q}/T^3 = 4.74 - 6.72$ at $T = 370$ MeV in central $Au+Au$ collisions at $\sqrt{s_{\rm NN}}=200$ GeV, and $\hat{q}/T^3 = 3.07 - 3.98$ at $T = 480$ MeV in central $Pb+Pb$ collisions at $\sqrt{s_{\rm NN}}=2.76$ TeV. The numerical results show that the uncertainties for $\hat{q}$ extraction are brought by the different contributions of gluon-to-hadron in the 6 sets of FFs due to gluon energy loss being $9/4$ times of quark energy loss., Comment: 16 pages, 21 figures