Advanced Physics Research最新文献

Naproxen (NPX) is a widely used nonsteroidal anti-inflammatory drug (NSAID) with limited aqueous solubility, commonly formulated as its sodium salt (SNPX) to enhance dissolution and absorption. This study systematically examines the influence of the sodium counterion on the structural, supramolecular, and electronic properties of NPX. Comparative analyses are performed using single-crystal X-ray diffraction, Hirshfeld surface (HS) mapping, and topological evaluation via the quantum theory of atoms in molecules (QTAIM). Density functional theory (DFT) calculations at the M06-2X/6-311++G(d,p) level provided further insights into chemical reactivity through frontier molecular orbitals and molecular electrostatic potential (MEP) maps. Both NPX and SNPX crystallize in the monoclinic space group P2₁ with overall geometric similarity, though significant differences are observed in the carboxyl group. NPX is stabilized by O─H···O hydrogen bonds, while SNPX exhibits four nonequivalent O···Na electrostatic contacts in addition to C─H···π and C─H···O interactions. Electronic descriptors revealed that SNPX and NPX⁻ are more reactive and polarizable than neutral NPX, consistent with enhanced solubility and pharmaceutical performance. These findings highlight the critical role of counterions in modifying supramolecular arrangements and physicochemical properties, reinforcing the importance of solid-state characterization in the development of Biopharmaceutics Classification System (BCS) Class II drugs.

In a generic hybrid network, classical, quantum, and no-signaling sources emit local hidden variables, stabilizer states, and no-signaling systems, respectively. The maximal correlation strength is investigated as the non-classical feature in this network. Given the associated fully-quantum network of a hybrid network, the stabilizing operators of the distributed quantum state are exploited to construct segmented Bell operators and the Bell inequalities tailored to the state. The upper bounds of the maximal correlation strengths in the associated full-classical, full-quantum, and fully-no-signaling networks are derived as the benchmarks. The study shows that the achievable correlation strength depends on the number of type-$$ measurements and that of nonlocal sources. The $$-nonlocality criteria are also introduced, indicating that the achievable maximal correlation strength cannot modeled by the network with at least $$ observers with local hidden variables performing type-$$ measurements.

Artificially engineered twisted van der Waals (vdW) heterostructures have unlocked new pathways for exploring emergent quantum phenomena and strongly correlated electronic states. Many of these phenomena are highly sensitive to the twist angle, which can be deliberately tuned to tailor the interlayer interactions. This makes the twist angle a critical tunable parameter, emphasizing the need for precise control and accurate characterization during device fabrication. In particular, twisted cuprate heterostructures based on Bi₂Sr₂CaCu₂O_{8 + x} (BSCCO) have demonstrated angle-dependent superconducting properties, positioning the twist angle as a key tunable parameter. However, the twisted interface is highly unstable under ambient conditions and vulnerable to damage from conventional characterization tools such as electron microscopy or scanning probe techniques. In this work, a fully non-invasive, polarization-resolved Raman spectroscopy approach is introduced for determining twist angles in artificially stacked BSCCO heterostructures. By analyzing twist-dependent anisotropic vibrational Raman modes, particularly utilizing the out-of-plane A_1g vibrational mode of Bi/Sr at ≈116 cm⁻¹, clear optical fingerprints of the rotational misalignment between cuprate layers are identified. The high-resolution confocal Raman setup, equipped with polarization control and RayShield filtering down to 10 cm⁻¹, allows for reliable and reproducible measurements without compromising the material's structural integrity.

A multi-physics computational investigation of a transparent tetralayer van der Waals heterostructured sensor composed of graphene, hexagonal boron nitride (h-BN), molybdenum disulfide (MoS₂), and phosphorene is presented, designed for comprehensive real-time monitoring of high-voltage power transmission infrastructures. The proposed architecture is examined entirely through first-principles (DFT) and finite-element (FEA) simulations coupled with electromagnetic modeling, providing quantitative insight into mechanical, thermal, electrical, and electromagnetic responses under realistic field conditions (−40 to +80°C, 20–95% RH). The optimized h-BN interlayer ensures superior dielectric isolation (< 0.1% crosstalk) and efficient thermal conduction (κ_hBN = 600 W m⁻¹ K⁻¹), enabling stable coupling among active layers. Parametric analysis yields an enhanced gauge factor (GF_eff = 125) for graphene-based strain sensing, a field-enhancement constant (ξ_hBN = 3.2) for MoS₂ partial-discharge detection, and directional EMI sensitivity governed by the anisotropic conductivity ratio (σ_∥/σ_⊥ = 150) of phosphorene. Virtual field-deployment simulations using actual transmission-line stress profiles indicate fault prediction up to 120 h earlier than benchmark technologies, with modeled accuracy exceeding 99.7%. The system achieves multi-modal reliability validated through automated signal-to-noise analysis (78, 62, and 54 dB for graphene, MoS₂, and phosphorene, respectively). By integrating complementary material physics within a unified modeling framework, this study establishes a computational baseline for next-generation van der Waals heterostructured sensors capable of predictive maintenance and autonomous fault diagnostics in smart-grid environments. All findings derive solely from validated simulations, highlighting the feasibility and scalability of the computational design prior to experimental realization.

Decoupled High-Resolution Ultrasound Focusing

The front cover shows a sparse phased array generating a steerable wave, reshaped by an acoustic metalens into a high-resolution focused beam. In Research Article e00147, Yu-Gui Peng, Shi-Chun Bao, Xue-Feng Zhu, and co-workers describe how this decoupled strategy enables low-cost, dynamic beam control, using physics to simplify electronic complexity and paving the way for advanced acoustic holography.

Using large-scale particle-based simulations, the formation of hollow liquid droplets and solid capsules during nonsolvent-induced phase separation (NIPS) in polymer-solvent droplets immersed in a nonsolvent bath is investigated. As solvent and nonsolvent exchange, nonsolvent gradually diffuses into the droplet, and the droplet surface retracts, leading to the formation of a dense polymer skin. This skin slows down further solvent-nonsolvent exchange. When the polymer-nonsolvent incompatibility is high, macrophase separation commences within the polymer skin, creating a porous droplet surface. These pores facilitate solvent-nonsolvent exchange. If the polymer remains liquid, these pores eventually close, trapping nonsolvent inside the cavity enclosed by the polymer skin. As a result, these hollow droplets become quasi-stable due to the protracted exchange of nonsolvent between the cavity and the external environment through the polymer skin. If the polymer vitrifies upon macrophase separation, the porous structure is permanently preserved, leading to the formation of porous microparticles. The findings align with experimental observations, and an outlook on the behavior of copolymer droplets is provided.

Ferroelectric materials have historically enabled breakthroughs in a wide range of technologies due to their intrinsic spontaneous polarization and electrically switchable states. While classical oxide perovskites, such as BaTiO₃ and Pb(Zr,Ti)O₃ laid the foundational understanding of ferroelectric phenomena, recent years have witnessed remarkable progress with the discovery of novel classes of ferroelectrics, including hybrid organic–inorganic perovskites, binary oxides such as HfO₂, and 2D mono and dichalcogenide materials. These emerging low-dimensional ferroelectrics not only extend the fundamental understanding of polar phenomena but also promise revolutionary device applications in nanoelectronics, photovoltaics, and quantum technologies. This review provides a comprehensive overview, starting from classical polarization mechanisms rooted in phonon instabilities and lattice distortions, and progresses to recently identified ferroelectric phenomena in materials like doped HfO₂ and 2D van der Waals crystals In₂Se, (Sn,Ge)(S,Se), and (Mo,W,Ta)(S,Se)₂. Special attention is given to novel polarization switching mechanisms, domain-wall dynamics, and the coupling between ferroelectricity, topology, and valley physics. The implications of quantum confinement, reduced dimensionality, and structural metastability in these emerging systems are discussed in detail, outlining how these unique properties open new frontiers for future ferroelectric research and technology development.

Mechanochromic (MC) organic materials – systems exhibiting a change in color in response to mechanical stimuli – have emerged as a frontier research domain at the intersection of materials science, chemistry, and physics with the potential for application in next-generation technologies. This review presents the recent advances in the field, providing a comprehensive overview of MC luminescent organic materials. We elucidate the intricate relationship between molecular structure and force-responsive properties, emphasizing the potential for precise tunability of their optical responses to mechanical stimuli. This review encompasses the full range of MC phenomena triggered by various mechanical forces, including grinding, pressure, stretching, shearing, and friction-induced changes in color. Beyond fundamental mechanisms, technological implementations of mechanochromism across different applicationsranging from smart displays and anti-counterfeiting measures to biomedical imaging and structural monitoring. Through critical assessment of the current research landscape, highlighting key achievements, unresolved challenges, and future directions, it is aimed to inspire interdisciplinary innovation in this dynamic field, providing a roadmap for future explorations.

LaBH₈ and LaBeH₈, as typical Fm-3m XYH₈-type hydrides, are predicted with outstanding superconductivity below megabar pressure. Notably, LaBeH₈ has been successfully synthesized with the predicted XYH₈-type structure and measured to have a critical temperature of 110 K down to 80 GPa. Here, the dynamically stability, chemical bonding, and electronic properties of LaBH₈ and LaBeH₈ are systematically investigated under pressure through first-principles calculations. Dynamical stability calculations show that removing B or Be atoms will make the structure be unstable at 80 GPa, suggesting the critical role of these atoms in stabilizing the structure. For LaBH₈, the calculated electron localization function (ELF), crystal orbital Hamilton population (COHP) and its integrals, topological analysis of the all-electron charge density and projected electronic density of states all suggest the presence of strong covalent interactions in the B–H bonds. For LaBeH₈, COHP analysis and its integrals indicates covalent character in the Be–H bonds, while the ELF and topological analysis suggest that the Be–H bonds also exhibit ionic character. This study provides deep analysis of the chemical bonding for the superconducting LaBH₈ and LaBeH₈.