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Chunlei Wang

Publications and source records attributed to Chunlei Wang.

At least 19 recordsLinked to original sources

HaReCAP: Habitual-action Grounding for Recursive Large Language Model Agents

Long-horizon embodied tasks require LLM agents to iteratively decompose high-level goals, revise plans in response to environmental feedback, and ground leaf-level subgoals into valid executable actions. Recursive context-management methods such as ReCAP improve planning stability through multi-level task decomposition and parent-node refinement, but still repeatedly invoke the LLM at leaf nodes to ground atomic subtasks into exact valid actions. We refer to this final grounding step as last-mile grounding redundancy, which accumulates into substantial LLM-call and token overhead during long-horizon execution. To mitigate this issue, we propose HaReCAP (Habitual-action Grounded ReCAP), a low-intrusion leaf grounding extension for ReCAP. HaReCAP extracts frequent leaf decisions from successful trajectories and compiles them offline into auditable and abstainable one-step leaf-reflex rules. At runtime, it skips the leaf LLM call only when a rule can uniquely determine a legal action in the current valid-action set; otherwise, it falls back to the original ReCAP. This design avoids repeatedly carrying the full recursive context into the LLM for routine leaf action grounding, while preserving the original recursive control flow. We evaluate HaReCAP on Robotouille and ALFWorld with Qwen3.5-27B as the main model. On tasks solved by both ReCAP and HaReCAP, HaReCAP reduces token consumption by 14.67%, 17.93%, and 20.08% on Robotouille synchronous, Robotouille asynchronous, and ALFWorld, respectively. The results show that HaReCAP can serve as a low-intrusion extension to ReCAP-style recursive context-management frameworks, reducing last-mile grounding redundancy across environments and models on commonly successful trajectories.

cs.AI

CO on a Rh/Fe3O4 single-atom catalyst: high-resolution infrared spectroscopy and near-ambient-pressure scanning tunnelling microscopy

Infrared reflection absorption spectroscopy (IRAS) offers a powerful route to bridging the materials and pressure gaps between surface science and powder catalysis. Using a newly developed IRAS setup optimised for dielectric single crystals, we investigate CO adsorption on the model single-atom catalyst Rh/Fe3O4(001). IRAS resolves three species: monocarbonyls at isolated, twofold-coordinated Rh adatoms, monocarbonyls at fivefold-coordinated Rh atoms embedded in the surface, and gem-dicarbonyls at isolated, twofold-coordinated Rh adatoms. Under ultra-high vacuum (UHV) conditions, RhCO monocarbonyl species at adatom sites dominate. Rh(CO)2 gem-dicarbonyl formation is kinetically hindered and occurs predominantly through CO-induced dissociation of Rh dimers rather than sequential adsorption of two CO molecules at an isolated, twofold Rh adatom. The sequential-adsorption pathway to Rh(CO)2 becomes accessible at millibar CO pressures as evidenced by near-ambient-pressure scanning tunnelling microscopy (NAP-STM). These findings link the UHV behaviour to that expected under realistic reaction conditions. Assignments of the vibrational frequencies to individual species rely on isotopic labelling, thermal treatments, and a review of previous SPM, XPS, and TPD data, supported by density functional theory (DFT)-based calculations. While theory provides qualitative insight, such as the instability of dicarbonyls on fivefold-coordinated Rh atoms, it does not yet reproduce experimental frequencies quantitatively and is sensitive to the computational parameters, highlighting the need for robust experimental benchmarks. The spectroscopic fingerprints established here provide a reliable foundation for identifying Rh coordination environments in oxide-supported single-atom catalysts.

cond-mat.mtrl-sci

Hydrogen Activation via Dihydride Formation on a Rh1/Fe3O4(001) Single-Atom Catalyst

Hydrogen activation is a key elementary step in catalytic hydrogenation. In heterogeneous catalysis, it usually proceeds through dissociative adsorption on metal nanoparticles followed by surface diffusion or spillover, whereas homogeneous catalysts activate H2 through dihydride or dihydrogen intermediates at a single metal center. Here, we show that isolated Rh adatoms supported on Fe3O4(001) activate hydrogen through formation of a stable dihydride species without atomic H spillover. Temperature-programmed desorption, X-ray photoelectron spectroscopy, and scanning tunneling microscopy collectively reveal strong (approximately 1 eV) hydrogen adsorption exclusively at isolated Rh1 sites, while isotope-exchange experiments further demonstrate that hydrogen remains localized. Density-functional theory based calculations indicate a barrierless conversion from molecular H2 to the dihydride, and random-phase approximation calculations further confirm the relative stability of the dihydride. Together, these results show that single-atom Rh sites cleave and bind H2 through a dihydride pathway analogous to homogeneous complexes, establishing a mechanistic bridge between homogeneous and heterogeneous catalysis.

cond-mat.mtrl-sci

LAVA: Lifetime-Aware VM Allocation with Learned Distributions and Adaptation to Mispredictions

Scheduling virtual machines (VMs) on hosts in cloud data centers dictates efficiency and is an NP-hard problem with incomplete information. Prior work improved VM scheduling with predicted VM lifetimes. Our work further improves lifetime-aware scheduling using repredictions with lifetime distributions versus one-shot prediction. Our approach repredicts and adjusts VM and host lifetimes when incorrect predictions emerge. We also present novel approaches for defragmentation and regular system maintenance, which are essential to our data center reliability and optimizations, and are not explored in prior work. We show repredictions deliver a fundamental advance in effectiveness over one-shot prediction. We call our novel combination of distribution-based lifetime predictions and scheduling algorithms Lifetime Aware VM Allocation (LAVA). LAVA reduces resource stranding and increases the number of empty hosts, which are critical for large VM scheduling, cloud system updates, and reducing dynamic energy consumption. Our approach runs in production within Google's hyperscale cloud data centers, where it improves efficiency by decreasing stranded compute and memory resources by ~3% and ~2% respectively. It increases empty hosts by 2.3-9.2 pp in production, reducing dynamic energy consumption, and increasing availability for large VMs and cloud system updates. We also show a reduction in VM migrations for host defragmentation and maintenance. In addition to our fleet-wide production deployment, we perform simulation studies to characterize the design space and show that our algorithm significantly outperforms the prior state of the art lifetime-based scheduling approach.

cs.DC

On the distributed resistor-constant phase element transmission line in a reflective bounded domain

In this work we derive and study the analytical solution of the voltage and current diffusion equation for the case of a finite-length resistor-constant phase element (CPE) transmission line (TL) network that can represent a model for porous electrodes in the absence of any Faradic processes. The energy storage component is considered to be an elemental CPE per unit length of impedance $z_c(s)={1}/{(c_α s^α)}$ with constant parameters $(c_α,α)$ instead of the ideal capacitor of impedance $z(s)={1}/{(c\, s)}$ usually assumed in TL modeling. The problem becomes a time-fractional diffusion equation for the voltage that we solve under galvanostatic charging, and derive from it a reduced impedance function of the form $z_α(s_n)=s_n^{-α/2}\coth({s_n^{α/2}})$, where $s_n = jω_n$ is a normalized frequency. We also derive the system's step response, and the distribution function of relaxation times associated with it. The analysis can be viewed and used as a support for the fractal finite-length Warburg model.

cond-mat.mtrl-sci

Evolution of Critical Current Density in CaKFe$_4$As$_4$ with La-doping

Single crystals of (Ca$_{1-x}$La$_x$)KFe$_4$As$_4$ (0 <= x <=0.16) have been grown by using the self-flux method, and the evolution of physical properties including the critical current density (Jc) with La-doping has been investigated. Tc decreases monotonically with increasing x, while Jc at the same temperature and magnetic field increases initially and reach its maximum at x = 0.082. The increase in Jc is more obvious at low temperatures and high fields. At T = 5 K and H = 40 kOe, Jc reaches 0.34 MA/cm$^2$, which is ~4 times larger than that for pure crystals. It is also found that anomalous temperature dependence of Jc in CaKFe$_4$As$_4$ is wiped away as the La content is increased. However, Jc shows non-monotonic field dependence (peak effect) at high fields in crystals with large x. In addition, we found that despite weak anisotropy of H$_{c2}$, there is extremely large anisotropy of Jc up to ~15, which is most likely caused by novel planar defects in the crystal, similar to CaKFe$_4$As$_4$. Jc characteristics in (Ca$_{1-x}$La$_x$)KFe$_4$As$_4$ with disorder outside FeAs planes is compared with that in CaK(Fe$_{1-x}$Co$_x$)$_4$As$_4$ with disorder within FeAs planes.

cond-mat.supr-con

Quasiphase transition of a single-file water chain influenced by atomic charges in a water model using orientational-biased replica exchange Monte Carlo simulations

The recently observed temperature-dependent quasiphase transition of the single-file water chain confined within a carbon nanotube in experiments has been validated by the simple lattice theory and molecular dynamics simulations. It has been pointed out that the atomic charges in water models are important, yet how the values will affect the structural details and thermodynamic properties of the quasiphase transition has not been fully revealed. In this work, we perform orientational-biased replica exchange Monte Carlo simulations in the canonical ensemble to explore the effect of atomic charges in the SPC/E water model on the quasiphase transition of a single-file water chain. Based on the atomic charge values reported in literature, three distinct quasiphases are reproduced, comprising a fully hydrogen-bonded water chain at lower temperatures, a more ordered dipolar orientation along the tube axis at intermediate temperatures, and a completely disordered structure at higher temperatures. Then by increasing the atomic charge values, we find that the fragmentation of the entire water chain into shorter water segments, the orientational ordering of water dipoles along the tube axis, and the transition towards complete disorder are all inhibited. Consequently, the transition temperatures between three quasiphases have been shifted to higher temperatures. The thermodynamic analysis demonstrates that the increased atomic charge values enhance the hydrogen bonding between neighbouring water molecules also the electrostatic attraction within the water chain, leading to a longer water dipole correlation length even at higher temperatures. These findings highlight the vital role of atomic charges in water models also the electrostatic interaction in regulating the orientational ordering of water molecules under nanoconfinement.

cond-mat.soft

Quantitative measurement of cooperative binding in partially dissociated water dimers at the hematite R-cut surface

Water-solid interfaces pervade the natural environment and modern technology. On some surfaces, water-water interactions induce the formation of partially dissociated interfacial layers; understanding why is important to model processes in catalysis or mineralogy. The complexity of the partially dissociated structures often make it difficult to probe them in a quantitative manner. Here, we utilize normal incidence x-ray standing waves (NIXSW) to study the structure of partially dissociated water dimers (H2O-OH) at the Fe2O3(012) surface (also called (1-102) or R-cut surface); a system simple enough to be tractable, yet complex enough to capture the essential physics. We find the H2O and terminal OH groups to be the same height above the surface within experimental error (1.45 +/- 0.04 Angstrom and 1.47 +/- 0.02 Angstrom, respectively), in line with DFT-based calculations that predict comparable Fe-O bond lengths for both water and OH species. This result is understood in the context of cooperative binding, where the formation of the H-bond between adsorbed H2O and OH induces the H2O to bind more strongly, and OH to bind more weakly compared to when these species are isolated on the surface. The surface OH formed by the liberated proton is found to be in plane with a bulk truncated (012) surface (-0.01 +/- 0.02 Angstrom). DFT calculations based on various functionals correctly model the cooperative effect, but overestimate the water-surface interaction.

cond-mat.mtrl-sci

A Multi-Technique Study of C2H4 Adsorption on a Model Single-Atom Rh1 Catalyst

Single-atom catalysts are potentially ideal model systems to investigate structure-function relationships in catalysis, if the active sites can be uniquely determined. In this work, we study the interaction of C2H4 with a model Rh/Fe3O4(001) catalyst that features 2-, 5-, and 6-fold coordinated Rh adatoms, as well as Rh clusters. Using multiple surface-sensitive techniques in combination with calculations of density functional theory (DFT), we follow the thermal evolution of the system and disentangle the behavior of the different species. C2H4 adsorption is strongest at the 2-fold coordinated Rh1 with a DFT-determined adsorption energy of -2.26 eV. However, desorption occurs at lower temperatures than expected because the Rh migrates into substitutional sites within the support, where the molecule is more weakly bound. Adsorption at the 5-fold coordinated Rh sites is predicated to -1.49 eV, but the superposition of this signal with that from small Rh clusters and additional heterogeneity leads to a broad C2H4 desorption shoulder in TPD above room temperature.

cond-mat.mtrl-sci

Infrared Reflection Absorption Spectroscopy Setup with Incidence Angle Selection for Surfaces of Non-Metals

Infrared Reflection Absorption Spectroscopy (IRAS) on dielectric single crystals is challenging because the optimal incidence angles for light-adsorbate interaction coincide with regions of low IR reflectivity. Here, we introduce an optimized IRAS setup that maximizes the signal-to-noise ratio for non-metals. This is achieved by maximizing light throughput, and by selecting optimal incidence angles that directly impact the peak heights in the spectra. The setup uses a commercial FTIR spectrometer and is usable in ultra-high vacuum (UHV). Specifically, the design features sample illumination and collection mirrors with a high numerical aperture inside the UHV system, and an adjustable aperture to select the incidence angle range on the sample. This is important for p-polarized measurements on dielectrics, because the peaks in the spectra reverse direction at the Brewster angle (band inversion). The system components are connected precisely via a single flange, ensuring long-term stability. We studied the signal-to-noise (SNR) variation in p-polarized IRAS spectra for one monolayer of CO on TiO2(110) as a function of incidence angle range, where a maximum signal-to-noise ratio of 70 was achieved at 4 cm-1 resolution in five minutes measurement time. The capabilities for s-polarization are demonstrated by measuring one monolayer D2O adsorbed on a TiO2(110) surface, where a SNR of 65 was achieved at a delta_R/R0 peak height of 1.4x10-4 in twenty minutes.

physics.optics

OV-VG: A Benchmark for Open-Vocabulary Visual Grounding

Open-vocabulary learning has emerged as a cutting-edge research area, particularly in light of the widespread adoption of vision-based foundational models. Its primary objective is to comprehend novel concepts that are not encompassed within a predefined vocabulary. One key facet of this endeavor is Visual Grounding, which entails locating a specific region within an image based on a corresponding language description. While current foundational models excel at various visual language tasks, there's a noticeable absence of models specifically tailored for open-vocabulary visual grounding. This research endeavor introduces novel and challenging OV tasks, namely Open-Vocabulary Visual Grounding and Open-Vocabulary Phrase Localization. The overarching aim is to establish connections between language descriptions and the localization of novel objects. To facilitate this, we have curated a comprehensive annotated benchmark, encompassing 7,272 OV-VG images and 1,000 OV-PL images. In our pursuit of addressing these challenges, we delved into various baseline methodologies rooted in existing open-vocabulary object detection, VG, and phrase localization frameworks. Surprisingly, we discovered that state-of-the-art methods often falter in diverse scenarios. Consequently, we developed a novel framework that integrates two critical components: Text-Image Query Selection and Language-Guided Feature Attention. These modules are designed to bolster the recognition of novel categories and enhance the alignment between visual and linguistic information. Extensive experiments demonstrate the efficacy of our proposed framework, which consistently attains SOTA performance across the OV-VG task. Additionally, ablation studies provide further evidence of the effectiveness of our innovative models. Codes and datasets will be made publicly available at https://github.com/cv516Buaa/OV-VG.

cs.CV

A Multi-Technique Study of C2H4 Adsorption on Fe3O4(001)

The adsorption/desorption of ethene (C2H4), also commonly known as ethylene, on Fe3O4(001) was studied under ultrahigh vacuum conditions using temperature programmed desorption (TPD), scanning tunneling microscopy, x-ray photoelectron spectroscopy, and density functional theory (DFT) based computations. To interpret the TPD data, we have employed a new analysis method based on equilibrium thermodynamics. C2H4 adsorbs intact at all coverages and interacts most strongly with surface defects such as antiphase domain boundaries and Fe adatoms. On the regular surface, C2H4 binds atop surface Fe sites up to a coverage of 2 molecules per (rt2xrt2)R45° unit cell, with every second Fe occupied. A desorption energy of 0.36 eV is determined by analysis of the TPD spectra at this coverage, which is approximately 0.1-0.2 eV lower than the value calculated by DFT + U with van der Waals corrections. Additional molecules are accommodated in between the Fe rows. These are stabilized by attractive interactions with the molecules adsorbed at Fe sites. The total capacity of the surface for C2H4 adsorption is found to be close to 4 molecules per (rt2xrt2)R45° unit cell.

cond-mat.mtrl-sci

Iterative Robust Visual Grounding with Masked Reference based Centerpoint Supervision

Visual Grounding (VG) aims at localizing target objects from an image based on given expressions and has made significant progress with the development of detection and vision transformer. However, existing VG methods tend to generate false-alarm objects when presented with inaccurate or irrelevant descriptions, which commonly occur in practical applications. Moreover, existing methods fail to capture fine-grained features, accurate localization, and sufficient context comprehension from the whole image and textual descriptions. To address both issues, we propose an Iterative Robust Visual Grounding (IR-VG) framework with Masked Reference based Centerpoint Supervision (MRCS). The framework introduces iterative multi-level vision-language fusion (IMVF) for better alignment. We use MRCS to ahieve more accurate localization with point-wised feature supervision. Then, to improve the robustness of VG, we also present a multi-stage false-alarm sensitive decoder (MFSD) to prevent the generation of false-alarm objects when presented with inaccurate expressions. The proposed framework is evaluated on five regular VG datasets and two newly constructed robust VG datasets. Extensive experiments demonstrate that IR-VG achieves new state-of-the-art (SOTA) results, with improvements of 25\% and 10\% compared to existing SOTA approaches on the two newly proposed robust VG datasets. Moreover, the proposed framework is also verified effective on five regular VG datasets. Codes and models will be publicly at https://github.com/cv516Buaa/IR-VG.

cs.CV

Anomalous second magnetization peak in 12442-type RbCa$_2$Fe$_4$As$_4$F$_2$ superconductors

The second magnetization peak (SMP) appears in most superconductors and is crucial for the understanding of vortex physics as well as the application. Although it is well known that the SMP is related to the type and quantity of disorder/defects, the mechanism has not been universally understood. In this work, we selected three stoichiometric superconducting RbCa$_2$Fe$_4$As$_4$F$_2$ single crystals with identical superconducting critical temperature $T_c$ $\sim$ 31 K and similar self-field critical current density $J_c$, but with different amounts of disorder/defects, to study the SMP effect. It is found that only the sample S2 with a moderate disorder/defects shows a significant SMP effect. The evolution of the normalized pinning force density $f_p$ demonstrates that the dominant pinning mechanism changes from weak pinning at low temperatures to strong pinning at high temperatures. The microstructure study for sample S2 reveals some expanded Ca$_2$F$_2$ layers and dislocation defects in RbFe$_2$As$_2$ layers. The normalized magnetic relaxation results indicate that the SMP is strongly associated with the elastic to plastic (E-P) vortex transition. As temperature increases, the SMP gradually evolves into a step-like shape and then becomes a sharp peak near the irreversibility field similar to what is usually observed in low-temperature superconductors. Our findings connect the low field SMP of high-temperature superconductors and the high field peak of low-temperature superconductors, revealing the possible universal origin related to the E-P phase transition.

cond-mat.supr-con

Time-Domain and Frequency-Domain Mappings of Voltage-to-Charge and Charge-to-Voltage in Capacitive Devices

In this work, we aim to show that there are generally four possible mapping functions that can be used to map the time-domain or frequency-domain representations of an applied voltage input to the resulting time-domain or frequency-domain electrical charge output; i.e. when the capacitive device is voltage-charged. Alternatively, there are four more possible combinations when the device is current-charged. The dual relationship between each pair of functions for the case of voltage or charge input are provided in terms of single or double Fourier transforms. All eight system functions coincide with each other if and only if a constant time- and frequency-independent capacitance is considered.

physics.app-ph

Tuning the competition between superconductivity and charge order in kagome superconductor Cs(V1-xNbx)3Sb5

The recently discovered coexistence of superconductivity and charge density wave order in the kagome systems AV3Sb5 (A = K, Rb, Cs) has stimulated enormous interest. According to theory, a vanadium-based kagome system may host a flat band, nontrivial linear dispersive Dirac surface states and electronic correlation. Despite intensive investigations, it remains controversial about the origin of the charge density wave (CDW) order, how does the superconductivity relate to the CDW, and whether the anomalous Hall effect (AHE) arises primarily from the kagome lattice or the CDW order. We report an extensive investigation on Cs(V1-xNbx)3Sb5 samples with systematic Nb doping. Our results show that the Nb doping induces apparent suppression of CDW order and promotes superconductivity; meanwhile, the AHE and magnetoresistance (MR) will be significantly weakened together with the CDW order. Combining with our density functional calculations, we interpret these effects by an antiphase shift of the Fermi energy with respect to the saddle points near M and the Fermi surface centered around Γ. It is found that the former depletes the filled states for the CDW instability and worsens the nesting condition for CDW order; while the latter lifts the Fermi level upward and enlarges the Fermi surface surrounding the Γ point, and thus promotes superconductivity. Our results uncover a delicate but unusual competition between the CDW order and superconductivity.

cond-mat.supr-con

Modified Poisson-Nernst-Planck theory for low-to-mid frequency immittance of electric double-layer capacitors

Understanding the system-level spectral immittance response of capacitive energy storage devices with analytically tractable physics-based models is not only important for the progress of the technology, but also allows to develop new physical insights more easily. Here, we report a modified Poisson--Nernst--Planck (PNP) system describing charge concentration and electric potential as a model of electro-kinetics for electrodes showing mixed resistive-capacitive behavior. This is done by (i) incorporating time shifts between the current fluxes and both concentration gradients of charged species and the electric field, and (ii) introducing time fractional derivatives in the continuity equation. The aim is to characterize the deviation of immittance from that of ideal capacitors both at close-to-dc frequencies where the impedance angle for example is larger than -90 deg., and also at mid-range frequencies where the system veers progressively toward resistive behavior. This latter tendency is important to model in order to identify the extend of the capacitive bandwidth of the device from the rest. Solution and simulation results to the one-dimensional modified PNP system for symmetric electrolyte/blocking electrode configuration are presented and discussed.

physics.app-ph

Deformed Butler-Volmer Models for Convex Semilogarithmic Current-Overpotential Profiles of Li-ion Batteries

The Butler-Volmer (BV) equation links the current flux crossing an electrochemical interface to the electric potential drop across it with the assumption of Arrhenius kinetics and the Boltzmann factor. Applying the semilogarithmic Tafel analysis in which the logarithm of current is plotted vs. the overpotential one expects straight lines from which the fundamental reaction rate of the kinetic process can be computed. However, some Li-ion battery data, which is the focus here, show nonlinear convex profiles that cannot be adequately fitted with the standard BV model. We propose instead two deformed BV models for the analysis of such types of behaviors constructed from the superposition of cells exhibiting only local equilibrium and thus giving rise to the power-law $q$-exponential and $κ$-exponential functions. Non-Boltzmann distributions have been successfully employed for the modeling of a wide spectrum of physical systems in nonequilibrium situations, but not yet for batteries. We verify the validity of the deformed BV models on experimental data obtained from \ce{LiFePO4} and \ce{Li}-\ce{O2} batteries.

physics.app-ph