Advanced Theory and Simulations最新文献

{"title":"Reconstructions of Laser‐Driven Molecular Magnetic Fields: A Possible Approach to Probe Anomalous Magnetic Signatures","authors":"Sherif Abdulkader Tawfik","doi":"10.1002/adts.70586","DOIUrl":"https://doi.org/10.1002/adts.70586","url":null,"abstract":"The magnetic field of laser‐driven currents in benzene, naphthalene, and anthracene is reconstructed from real‐space time‐dependent density‐functional theory (TDDFT) current densities by two methods: the quasi‐static Biot–Savart (BS) law and the current–magnetization (CMH) framework, in which each carrier generates a locally screened source that is driven by its motion relative to nearby ions. The CMH is a microscopic theory of induction which was built upon reproducing the BS field of a conducting copper wire, and we compare its predictions for molecular systems against the BS predictions. For the polar current driven by a normal‐incidence, linearly polarized 6.9 eV (180 nm) valence‐excitation pulse, the BS field is predominantly transverse, with a deep central null and an off‐center maximum on the carbon skeleton. The CMH field resolves additional framework‐localized, higher‐multipole structure that the continuum BS kernel averages out, including a quadrupolar in naphthalene, dominant lobes of opposite sign to BS, and a central stagnation point that changes from a vortex to a saddle between molecules. Because the CMH source is constructed from the motional field that enters spin–orbit coupling, CMH–type maps are candidate descriptors of relativistic or competing‐current magnetic signatures.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"45 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221414","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dynamic Motion in CH 4 @C 60 . Evaluation and Evolution of the Interaction Nature in the Methane‐Fullerene Endohedral Cage","authors":"Alvaro Muñoz‐Castro","doi":"10.1002/adts.70583","DOIUrl":"https://doi.org/10.1002/adts.70583","url":null,"abstract":"Endohedral fullerenes permanently enclose an inner guest, leading to distinct confinement effects, where precise “molecular surgery” creates a temporary opening enabling the inclusion of small molecules before being sealed. Following this approach, the CH <jats:sub>4</jats:sub> @C <jats:sub>60</jats:sub> endohedral aggregate has been realized and characterized, with methane being located at the center of the fullerene cage. Owing to the resulting steric crowding due to CH <jats:sub>4</jats:sub> van der Waals radius slightly exceeding the available inner cavity of C <jats:sub>60</jats:sub> , a balance between steric repulsion and electronic stabilization ensures the favorable incorporation. From the evaluation of the hexanionic counterpart, CH <jats:sub>4</jats:sub> @C <jats:sub>60</jats:sub> <jats:sup>6−</jats:sup> , the variation of the π‐surface leads to enhanced stabilization through a slight reduction of steric hindrance. The endohedral dynamics is evaluated from molecular dynamics coupled with energy decomposition (MD+EDA), unraveling a constant dynamic bouncing and rotational endohedral motion within the cage, which modulates the interaction energies to retain the stabilization of the CH <jats:sub>4</jats:sub> @C <jats:sub>60</jats:sub> aggregate featuring multiple CH∙∙∙π interactions. Thus, the methane molecule remains under constant precession, serving as a prototypical case for exploration of free‐rotor behavior of incorporated molecules into confined situations, serving to envisage modulation of intermolecular motion domains, while retaining a favorable aggregation, encouraging further studies of flexible supramolecular devices.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"46 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2026-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149208469","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Site and Configuration-Dependent Oxygen Evolution on Pristine g-C3N4: First-Principles Insights Into Intrinsic Active-Site Heterogeneity","authors":"Riri Jonuarti,&nbsp;Maulana Reizqy Anughrah,&nbsp; Syafri,&nbsp;Wilson Agerico Diño","doi":"10.1002/adts.70581","DOIUrl":"https://doi.org/10.1002/adts.70581","url":null,"abstract":"<div>\u0000 \u0000 <p>Graphitic carbon nitride (g-C₃N₄) is a promising metal-free electrocatalyst for the oxygen evolution reaction (OER), yet the intrinsic site-dependent reactivity of pristine g-C₃N₄ remains insufficiently characterized. Here, first-principles density functional theory was used to investigate OER at three adsorption sites: the Hollow site, Top C site, and Top N site, considering OH*, O*, and OOH* intermediates. OH* and O* adsorb favorably at all sites, whereas OOH* binds thermodynamically only at Top C (−0.07 eV) and is endothermic at Hollow (+1.83 eV) and Top N (+2.58 eV). Enumeration of all 27 possible site-assignment permutations along the four-step OER pathway using the computational hydrogen electrode (CHE) convention yields nine overpotential groups ranging from 2.18 to 5.80 V. The global minimum overpotential is 2.18 V when both OH* and OOH* occupy Top C, with the first water oxidation step as the potential-determining step at an onset potential of 3.41 V. For every configuration, the four reaction free energies sum to 4.92 eV at U = 0 V, confirming thermodynamic consistency. Bader charge and partial density of states analyses further identify Top C as the most electronically active site, providing a quantitative baseline for rational g-C₃N₄ OER catalyst design.</p>\u0000 </div>","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"9 10","pages":""},"PeriodicalIF":3.2,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149205646","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Polymorph Competition and Metastable Half-Metallicity in NiMnAs: A First-Principles Study of Hexagonal Ground-State Stability and Coherent-Strain Screening","authors":"K. F. Z. Nair,&nbsp;L. Beldi,&nbsp;M. Z. Chekroun,&nbsp;N. Tayebi,&nbsp;S. Méçabih,&nbsp;B. Abbar,&nbsp;B. Bouhafs,&nbsp;Mohammed Benali Kanoun,&nbsp;Souraya Goumri-Said","doi":"10.1002/adts.70577","DOIUrl":"10.1002/adts.70577","url":null,"abstract":"<div>\u0000 \u0000 <p>We investigate polymorph competition, stability, and half-metallicity in NiMnAs using spin-polarized GGA-PBE calculations. Cubic, hexagonal, tetragonal, and orthorhombic structures with different atomic orderings are examined. Static total-energy comparisons identify ferromagnetic hexagonal <span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 <mi>α</mi>\u0000 <mo>−</mo>\u0000 <mi>P</mi>\u0000 <mover>\u0000 <mn>6</mn>\u0000 <mo>¯</mo>\u0000 </mover>\u0000 <mn>2</mn>\u0000 <mi>m</mi>\u0000 </mrow>\u0000 <annotation>$alpha - Pbar 62m$</annotation>\u0000 </semantics></math>  as the lowest-energy examined phase, whereas cubic C1b NiMnAs is a metastable half-metal. Elastic constants and phonon spectra support mechanical and local harmonic dynamical stability of the cubic, orthorhombic, and hexagonal phases. Their electronic structures and vibrational thermodynamic properties are analyzed. Cubic NiMnAs exhibits 100% spin polarization, an integer magnetic moment of 4.00 µ_B per formula unit, and a minority-spin gap of 0.73 eV, while the hexagonal and orthorhombic phases are metallic. An analytical coherent-strain model based on cubic elastic constants estimates the elastic cost of biaxial deformation. Simple cube-on-cube matching identifies GaAs and Ge as low-mismatch candidates for future epitaxial investigations. Harmonic phonon calculations characterize the vibrational thermodynamic response. The strain model excludes interface chemistry and strain-induced electronic changes, while the thermal analysis omits thermal expansion and explicit anharmonicity. Consequently, these results provide a screening framework without establishing epitaxial stabilization, preservation of half-metallicity under strain, or finite-temperature phase ordering. NiMnAs exhibits polymorph-dependent magnetism, with a metastable cubic half-metallic phase offering motivation for future synthesis and spintronic studies.</p>\u0000 </div>","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"9 10","pages":""},"PeriodicalIF":3.2,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149173003","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Wireless Brain-Computer Interface With MagnetoElectric NanoParticles: Recording of Neural Activity","authors":"Max Shotbolt,&nbsp;Elric Zhang,&nbsp;Shawnus Chen,&nbsp;Jieyuan Tian,&nbsp;Mostafa Abdel-Mottaleb,&nbsp;Zeinab Ramezani,&nbsp;Marta Pardo,&nbsp;Ping Liang,&nbsp;Sakhrat Khizroev","doi":"10.1002/adts.70580","DOIUrl":"10.1002/adts.70580","url":null,"abstract":"<p>Non-invasive recording of neural activity from deep brain regions with high spatial and temporal resolution remains an unsolved challenge. Here we investigate the feasibility of exploiting the converse magnetoelectric effect of magnetoelectric nanoparticles (MENPs) to enable wireless non-invasive recording of electric fields due to local neural activity deep in the brain. To validate the proposed mechanism, we developed a physics-based simulation of MENP-assisted neural recordings. The model incorporates nonlinear magnetization dynamics, multistage filtering, and realistic noise sources to stimulate MENPs-assisted neural recording. The results demonstrate extractable neural activity with positive signal-to-noise ratios (SNRs), confirming the theoretical feasibility of wireless MENP-based brain recording, with a simulated peak-based SNR of 24.4 dB. These findings validate the physics of the approach. Importantly, the mechanism favors membrane-local electric fields, suggesting sensitivity to highly localized neuronal activity, while the detectable bandwidth overlaps with canonical neural oscillations. The system further enables dynamic control of nanoparticle behavior through frequency-dependent switching of the superparamagnetic state, allowing separation between stable delivery and active sensing. Together, these results establish a physically grounded pathway toward non-invasive, real-time mapping of neural activity in deep brain regions.</p>","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"9 10","pages":""},"PeriodicalIF":3.2,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/adts.70580","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149172661","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Molecular Dynamics Insights Into the Structural and Dynamic Properties of Thiazolium-Based Ionic Liquids: Effects of Alkyl Chain Length","authors":"Mohammad Javad Shams,&nbsp;Saeid Yeganegi,&nbsp;Effat Kianpour","doi":"10.1002/adts.70573","DOIUrl":"10.1002/adts.70573","url":null,"abstract":"<div>\u0000 \u0000 <p>This study investigates the structural and dynamic properties of thiazolium-based ionic liquids, [Cn-Thia][NTf₂] (<i>n</i> = 2, 4, 6, and 8), using molecular dynamics simulations. Radial distribution functions, Voronoi analysis, and cluster analysis were employed to characterize the local structure and nanoscale heterogeneity, while mean square displacement, diffusion coefficients, hydrogen-bond dynamics, ion pairing, ion cages, and rotational relaxation were used to examine the molecular dynamics. The density decreases systematically with increasing alkyl chain length. Analysis of the spatial correlations indicates stronger anion–cation interactions for longer alkyl chains, accompanied by slower hydrogen-bond dynamics. The cations exhibit higher diffusivities than the anions, with [C2-Thia]⁺ showing the highest diffusion coefficient. Increasing the alkyl chain length also enhances ion confinement within local cages and restricts the dynamics of the ionic environment. Rotational correlation functions show that the thiazolium ring is substantially more rigid than the terminal alkyl chains. Cluster analysis further reveals increasing nanoscale segregation and structural heterogeneity with alkyl chain length, with the most pronounced effects observed for [C8-Thia][NTf₂]. Overall, the simulations demonstrate that alkyl-chain extension systematically modifies both the local organization and dynamic behavior of these thiazolium-based ionic liquids.</p>\u0000 </div>","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"9 10","pages":""},"PeriodicalIF":3.2,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149172662","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Lead-Free Halide Double Perovskites Cs2KXCl6 (X = Tl, As): A First-Principles Study of Electronic, Optical, and Thermoelectric Properties","authors":"Muhammad Naeem Tabassam,&nbsp;Han Zhang,&nbsp;Kiran Riaz,&nbsp;Weidong Liao,&nbsp;Taojian Fan","doi":"10.1002/adts.70579","DOIUrl":"10.1002/adts.70579","url":null,"abstract":"<div>\u0000 \u0000 <p>Halide double perovskites based on non-toxic elements are promising materials for energy conversion and optoelectronic applications. Here, we systematically investigate the structural, mechanical, electronic, optical, and thermoelectric properties of lead-free Cs₂KXCl₆ (X = Tl, As) using first-principles calculations within the FP-LAPW framework as implemented in the WIEN2k code. Structural stability is confirmed by Goldschmidt tolerance factors of 0.85 (Cs₂KTlCl₆) and 0.87 (Cs₂KAsCl₆), negative formation enthalpies of −1.89 and −2.41 eV, and phonon dispersion curves free of imaginary frequencies. Mechanical stability is verified through the Born stability criteria. The modified Becke–Johnson (mBJ) potential yields direct bandgaps of 3.43 eV for Cs₂KTlCl₆ and 4.10 eV for Cs₂KAsCl₆, correcting the underestimation of the generalized gradient approximation (GGA) (2.14 and 3.36 eV). Optical analysis reveals strong ultraviolet absorption peaks at 5.61 and 8.82 eV, respectively, with low static reflectivity of 0.06 and 0.08, making these compounds excellent candidates for UV optoelectronic devices. Thermoelectric calculations yield peak ZT values of 0.75 at 100 K for Cs₂KTlCl₆ and 0.77 at 200 K for Cs₂KAsCl₆, while positive Seebeck coefficients indicate p-type conduction. These findings demonstrate that Cs₂KXCl6 (X = Tl, As) are stable, lead-free semiconductors with potential applications in ultraviolet optoelectronics and thermoelectric energy harvesting.</p>\u0000 </div>","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"9 10","pages":""},"PeriodicalIF":3.2,"publicationDate":"2026-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149173002","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Monge–Ellipse Descriptor for Interpretable Quantification of Pore Architecture in Rock Images","authors":"Raphael M. Tromer,&nbsp;Israel da Silva Oliveira,&nbsp;Carlos Maciel de Oliveira Bastos,&nbsp;Alexandre Cavalheiro Dias,&nbsp;Paola Ferreira Barbosa,&nbsp;Lucieth Cruz Vieira,&nbsp;Roberto Ventura Santos,&nbsp;Luiz Antonio Ribeiro Junior","doi":"10.1002/adts.70575","DOIUrl":"10.1002/adts.70575","url":null,"abstract":"<p>Quantifying pore architecture in rocks is essential for understanding storage, transport, mechanical weakening, and reservoir quality. However, conventional porosity measurements reduce complex pore networks to a single scalar quantity. Here, we introduce a two-dimensional Monge–Ellipse descriptor that combines pore fraction, pore abundance, pore-size statistics, elliptical anisotropy, boundary morphology, and local inter-pore organization into an interpretable morphological signature. The method adapts Monge's classical theorem by representing each pore through a second-moment ellipse and computing direction-dependent external homothetic centers for local pore triplets defined by Delaunay triangulation. The resulting Monge–Ellipse score measures departures from ideal homothetic organization and complements conventional shape descriptors. Applied to three segmented carbonate thin-section images, the descriptor separates a low-porosity, fragmented system; an intermediate-porosity system with the strongest local Monge–Ellipse disorder; and a high-porosity system dominated by larger connected pore regions. The most informative contrasts arise from upper-tail statistics, particularly the 90th percentiles (<span></span><math>\u0000 <semantics>\u0000 <msub>\u0000 <mi>P</mi>\u0000 <mn>90</mn>\u0000 </msub>\u0000 <annotation>${rm P}_{90}$</annotation>\u0000 </semantics></math>) of pore size, major axis, and Monge–Ellipse score, rather than from porosity or median shape alone. These results establish Monge-inspired geometry as a physically interpretable route for transforming segmented rock images into feature vectors for quantitative petrography, image-based rock typing, and machine-learning studies of pore morphology.</p>","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"9 10","pages":""},"PeriodicalIF":3.2,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/adts.70575","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149123455","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Elucidating Inhibitory Potential of Seaweed Metabolites against Fluoroquinolone-Resistant Salmonella Typhi: An Integrated Computational Approach","authors":"Romita Guchhait,&nbsp;Sudha Ramaiah","doi":"10.1002/adts.70578","DOIUrl":"10.1002/adts.70578","url":null,"abstract":"<div>\u0000 \u0000 <p>The advent of multidrug-resistant <i>Salmonella enterica</i> serovar Typhi (<i>S</i>. Typhi) continues to undermine therapeutic management of typhoid fever, rendering it a formidable challenge to global healthcare systems. Mutations, particularly S80I and E84K, in quinoline resistance determining region (QRDR) of <i>parC</i> gene, has been extensively reported to reduce fluoroquinolone susceptibility. Therefore, the present study aims to evaluate the potential of marine seaweed compounds in targeting the mutated ParC protein. A comprehensive in silico approach was employed to screen 1077 seaweed metabolites. Among them, 29 compounds presented desirable pharmacokinetic, pharmacodynamic, and toxicity profiles. Molecular docking results identified two lead candidates, M1 (CID: 11300891) and M5 (CID: 434036), exhibiting comparable predicted binding affinity with scores ranging from −6.9 kcal/mol to −7.2 kcal/mol than ciprofloxacin (∼−6.7 kcal/mol). Molecular dynamics (MD) simulation analysis (replicate) further validates their binding stability with an average RMSD value of ∼0.66 nm. Additionally, MM-GBSA binding free energy calculations supported these interactions with a favorable ΔG_BIND value (∼−25 kcal/mol). DFT analysis further indicated a favorable chemical reactivity profile and electronic properties of the lead metabolites for stable interactions. The findings of this study support the feasibility of leveraging seaweed metabolites (M1 and M5) as prospective therapeutic entities for targeting ParC mutations in resistant <i>S</i>. Typhi.</p>\u0000 </div>","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"9 10","pages":""},"PeriodicalIF":3.2,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149123454","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Numerical Simulation and Multi-Objective Optimization of a Pilot-Operated Electro-Hydraulic Proportional Relief Valve","authors":"Yaxin Yu,&nbsp;Dapeng Zhou,&nbsp;Zhidan Weng,&nbsp;Hao Wang,&nbsp;Bo Jin","doi":"10.1002/adts.70576","DOIUrl":"10.1002/adts.70576","url":null,"abstract":"<div>\u0000 \u0000 <p>This study presents a numerical simulation and multi-objective optimization framework to enhance the static and dynamic characteristics of a pilot-operated electro-hydraulic proportional relief valve (PORV). To overcome the accuracy limitations of traditional empirical formulas under variable-structure scenarios, a comprehensive mathematical model is developed. Computational Fluid Dynamics (CFD) simulations are utilized to characterize flow rate and flow force variations accurately. Subsequently, a high-fidelity, parameterized three-dimensional (3D) surrogate model is established using pressure differential, spool displacement, and half-cone angle as inputs. Based on this, an integrated optimization approach is proposed: the Non-dominated Sorting Genetic Algorithm II (NSGA-II) optimizes key structural parameters (half-cone angles and damping orifice diameters), while the entropy-weighted Technique for Order Preference by Similarity to Ideal Solution (TOPSIS) evaluates the Pareto-optimal solutions to determine the optimal parameter set. Experimental validation demonstrates significant performance improvements in the optimized valve: the cracking pressure ratio increases by 3.25%, pressure regulation deviation decreases by 35.07%, settling time is reduced by 43.09%, and pressure overshoot is suppressed by 70.97%. This high-fidelity modeling and optimization methodology provides a reliable, generalizable design framework for advanced hydraulic proportional valves.</p>\u0000 </div>","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"9 10","pages":""},"PeriodicalIF":3.2,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149123456","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}