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Short-chain Length Dependence of Equilibrium Dynamics and Nonlinear Rheology in Unentangled Long-chain/Short-chain Polymer Blends
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作者 Xiao-Yang Wang Bo Liu +2 位作者 Li-Jia An Zhen-Hua Wang Yu-Yuan Lu 《Chinese Journal of Polymer Science》 2026年第2期525-535,I0016,共12页
The equilibrium dynamics and nonlinear rheology of unentangled polymer blends remain inadequately understood,especially regarding the influence of short-chain matrix length N_(S) on the structure and rheological behav... The equilibrium dynamics and nonlinear rheology of unentangled polymer blends remain inadequately understood,especially regarding the influence of short-chain matrix length N_(S) on the structure and rheological behavior of dispersed long chains.Using molecular dynamics simulations based on the Kremer-Grest model,we systematically explore the N_(S)-dependence of static conformations,equilibrium dynamics,and nonlinear shear responses in unentangled long-chain/short-chain polymer blends.Our results demonstrate a decoupling between the static and dynamic sensitivity to N_(S):while the static chain size,R_g,follows Flory theory with slight swelling at small N_(S) due to incomplete excluded volume screening,the diffusion coefficient,D,and the relaxation time,τ_(0),exhibit a strong,non-monotonic N_(S)-dependence,transitioning from monomeric friction dominance at small N_(S) to collective segmental rearrangement at large N_(S).Additionally,we observe partial decoupling between the viscous and normal stress responses:while the zero-shear viscosity,η,is strongly N_(S)-dependent,the first and second normal stress coefficients,Ψ_(1) and Ψ_(2),collapse onto universal curves when scaled by the dimensionless shear rate,γτ_(0),suggesting a common mechanism of orientation and stretching.Under shear,long chains compress in the vorticity direction λ_(z)~Wi^(-0.2),which reduces collision frequency and contributes to shear thinning,while the scaling of weaker orientation resistance m_(G)~Wi^(0.35)reflects hydrodynamic screening by the short-chain matrix.These findings highlight the limitations of single-chain models and emphasize the necessity of considering N_(S)-dependent matrix dynamics and flow-induced structural changes in understanding the rheology of unentangled polymer blends. 展开更多
关键词 Unentangled polymer blend Nonlinear rheology Equilibrium dynamics Hydrodynamic interaction screening Molecular dynamics simulation
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Fluid migration in calcite nanopores under salinity gradients:Insights from molecular dynamics
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作者 Yi Chen Yan Zhang +1 位作者 Run-Sheng Han Lei Wang 《Acta Geochimica》 2026年第1期185-203,共19页
The migration mechanisms of ore-forming fluids have long been a focus in the field of ore deposit studies.Calcite is ubiquitously present in various types of rocks in the lithosphere,and the underlying mechanisms of i... The migration mechanisms of ore-forming fluids have long been a focus in the field of ore deposit studies.Calcite is ubiquitously present in various types of rocks in the lithosphere,and the underlying mechanisms of its influence on fluid migration are of crucial importance.While previous studies have revealed that salinity changes can modulate fluid migration,the underlying mechanisms remain poorly understood.We employ molecular dynamics simulations to elucidate how salinity variations in ore-forming fluids modulate the adsorption onto calcite nanopore walls,thereby revealing the microscopic mechanisms governing ore fluid transport through calcite nano-fractures.The results show that the adsorption energy Eint of the solution on the calcite surface increased from -14,948.84±182.48 kcal/mol to -12,144.08±118.2 kcal/mol as salinity increased,which is conducive to the long-range transport of the fluid in the calcite nanopore. 展开更多
关键词 Fluid transport dynamics Salinity gradient regulation Calcite nanopores Molecular dynamics simulation
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KONUS dynamics for a 750 MHz IH-based injector
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作者 J.Giner Navarro C.Oliver +7 位作者 D.Gavela V.Bencini A.Lombardi P.Calvo G.Moreno M.León A.Rodríguez J.M.Carmona 《Nuclear Science and Techniques》 2026年第3期65-78,共14页
In response to the increasing demand for hadron therapy facilities,significant efforts have been directed toward enhancing the performance of high-gradient and high-transmission injectors for light ion beams.For carbo... In response to the increasing demand for hadron therapy facilities,significant efforts have been directed toward enhancing the performance of high-gradient and high-transmission injectors for light ion beams.For carbon ion irradiations,which offer greater radiobiological efficiency in tumor treatment,recent research has focused on developing high-production sources of fully stripped C^(6+)ions and highly compact,high-frequency RFQ cavities.This study explores the design possibilities of a carbon ion acceleration section using 750 MHz Interdigital H-mode Drift Tube Linacs(IH-DTLs)as a high-efficiency solution for accelerating ions in the 5-10 MeV per nucleon energy range.A particle-tracking routine based on the TRAVEL code was developed to design the acceleration line through a tailored KONUS-type configuration.Three design solutions were proposed and compared,exploring different alternatives regarding the use of a MEBT to match the output beam phase space of the RFQ to the optics of the line,as well as varying considerations for magnetic systems to focus the beam.Additionally,the compatibility of the proposed solutions with the existing design of the carbon ion bent-linac for hadron therapy was assessed. 展开更多
关键词 ACCELERATOR INJECTOR LINAC IH KONUS dynamics Hadron therapy
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Melatonin and Mitochondrial Function:Insights into Bioenergetics,Dynamics,and Gene Regulation
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作者 Silvia Carloni Maria Gemma Nasoni +6 位作者 Serafina Perrone Erik Bargagni Carla Gentile Walter Manucha Russel JReiter Francesca Luchetti Walter Balduini 《BIOCELL》 2026年第2期1-22,共22页
Mitochondria are central regulators of cellular energy metabolism,redox balance,and survival,and their dysfunction contributes to neurodegenerative,cardiovascular,and metabolic diseases,as well as aging.Beyond its rol... Mitochondria are central regulators of cellular energy metabolism,redox balance,and survival,and their dysfunction contributes to neurodegenerative,cardiovascular,and metabolic diseases,as well as aging.Beyond its role as a circadian hormone,melatonin is now recognized as a key modulator of mitochondrial physiology.This review provides an overview of the mechanisms by which melatonin can preserve mitochondrial function through multifaceted mechanisms.Experimental evidence shows that melatonin enhances the activity of electron transport chain(ETC)complexes,stabilizes the mitochondrial membrane potential(Δψ),and prevents cardiolipin(CL)peroxidation,thereby limiting permeability transition pore(mPTP)opening and cytochrome c release.Through its direct radical scavenging capacity and the upregulation of mitochondrial antioxidant defenses,melatonin protects against oxidative stress(OS)and preserves mitochondrial DNA integrity.Melatonin also regulates mitochondrial dynamics by promoting fusion,restraining excessive fission,and supporting quality control mechanisms such as mitophagy,unfolded protein response(UPR),and proteostasis.Moreover,melatonin influences mitochondrial biogenesis and intercellular communication through tunneling nanotubes(TNTs)and mitokine signaling.Thus,melatonin may represent a promising multifaceted therapeutic strategy for preserving mitochondrial homeostasis in a range of pathological conditions,including neurodegeneration and cardiovascular and metabolic diseases.However,a significant translational gap still remains between the promising preclinical data and the established clinical practice.Therefore,the aim of this review is to provide a comprehensive synthesis of current knowledge on the mechanisms through which melatonin modulates mitochondrial function and to discuss its potential therapeutic implications in neurodegenerative,cardiovascular,and metabolic diseases. 展开更多
关键词 MELATONIN mitochondrial bioenergetics mitochondrial dynamics oxidative stress tunneling nanotubes mitokines
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Mechanisms of Pore-Grain Boundary Interactions Influencing Nanoindentation Behavior in Pure Nickel: A Molecular Dynamics Study
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作者 Chen-Xi Hu Wu-Gui Jiang +1 位作者 Jin Wang Tian-Yu He 《Computers, Materials & Continua》 2026年第1期368-388,共21页
THE mechanical response and deformation mechanisms of pure nickel under nanoindentation were systematically investigated using molecular dynamics(MD)simulations,with a particular focus on the novel interplay between c... THE mechanical response and deformation mechanisms of pure nickel under nanoindentation were systematically investigated using molecular dynamics(MD)simulations,with a particular focus on the novel interplay between crystallographic orientation,grain boundary(GB)proximity,and pore characteristics(size/location).This study compares single-crystal nickel models along[100],[110],and[111]orientations with equiaxed polycrystalline models containing 0,1,and 2.5 nm pores in surface and subsurface configurations.Our results reveal that crystallographic anisotropy manifests as a 24.4%higher elastic modulus and 22.2%greater hardness in[111]-oriented single crystals compared to[100].Pore-GB synergistic effects are found to dominate the deformation behavior:2.5 nm subsurface pores reduce hardness by 25.2%through stress concentration and dislocation annihilation at GBs,whereas surface pores enable mechanical recovery via accelerated dislocation generation post-collapse.Additionally,size-dependent deformation regimes were identified,with 1 nm pores inducing negligible perturbation due to rapid atomic rearrangement,in contrast with persistent softening in 2.5 nm pores.These findings establish atomic-scale design principles for defect engineering in nickel-based aerospace components,demonstrating how crystallographic orientation,pore configuration,and GB interactions collectively govern nanoindentation behavior. 展开更多
关键词 Pure nickel NANOINDENTATION molecular dynamics PORE grain boundary
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Ultrafast Sulfur Redox Dynamics Enabled by a PPy@N‑TiO_(2) Z‑Scheme Heterojunction Photoelectrode for Photo‑Assisted Lithium–Sulfur Batteries
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作者 Fei Zhao Yibo He +6 位作者 Xuhong Li Ke Yang Shuo Chen Yuanzhi Jiang Xue‑Sen Wang Chunyuan Song Xuqing Liu 《Nano-Micro Letters》 2026年第3期445-462,共18页
Photo-assisted lithium–sulfur batteries(PALSBs)offer an eco-friendly solution to address the issue of sluggish reaction kinetics of conventional LSBs.However,designing an efficient photoelectrode for practical implem... Photo-assisted lithium–sulfur batteries(PALSBs)offer an eco-friendly solution to address the issue of sluggish reaction kinetics of conventional LSBs.However,designing an efficient photoelectrode for practical implementation remains a significant challenge.Herein,we construct a free-standing polymer–inorganic hybrid photoelectrode with a direct Z-scheme heterostructure to develop high-efficiency PALSBs.Specifically,polypyrrole(PPy)is in situ vapor-phase polymerized on the surface of N-doped TiO_(2) nanorods supported on carbon cloth(N-TiO_(2)/CC),thereby forming a well-defined p–n heterojunction.This architecture efficiently facilitates the carrier separation of photo-generated electron–hole pairs and significantly enhances carrier transport by creating a built-in electric field.Thus,the PPy@N-TiO_(2)/CC can simultaneously act as a photocatalyst and an electrocatalyst to accelerate the reduction and evolution of sulfur,enabling ultrafast sulfur redox dynamics,as convincingly validated by both theoretical simulations and experimental results.Consequently,the PPy@N-TiO_(2)/CC PALSB achieves a high discharge capacity of 1653 mAh g^(−1),reaching 98.7%of the theoretical value.Furthermore,5 h of photo-charging without external voltage enables the PALSB to deliver a discharge capacity of 333 mAh g^(−1),achieving dual-mode energy harvesting capabilities.This work successfully integrates solar energy conversion and storage within a rechargeable battery system,providing a promising strategy for sustainable energy storage technologies. 展开更多
关键词 Photo-assisted lithium-sulfur batteries Z-scheme heterojunction Electrocatalysis Photocatalysis Sulfur redox dynamics
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Corrigendum to“Molecular dynamics study incorporating regression analysis:Quantitative effects of sinusoidal protrusions and wettability on water phase transition containing insoluble gases”
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《Chinese Physics B》 2026年第2期714-715,共2页
In Chin.Phys.B 34114704(2025),Eq.(7)and the associated unit notation were incorrect.The correct ones are present here.Since Eq.(7)is an in-built expression in the simulation package,the correction is purely typographi... In Chin.Phys.B 34114704(2025),Eq.(7)and the associated unit notation were incorrect.The correct ones are present here.Since Eq.(7)is an in-built expression in the simulation package,the correction is purely typographical and does not affect the simulation procedure,numerical results,or the conclusions. 展开更多
关键词 associated unit notation water phase transition WETTABILITY sinusoidal protrusions simulation packagethe insoluble gases simulation procedurenumerical molecular dynamics
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On the dynamics and collisions of settling spheroidal particles
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作者 Xinyu Jiang Lihao Zhao Luca Brandt 《Acta Mechanica Sinica》 2026年第1期49-63,共15页
In this study,we perform particle-resolved simulations of settling spheroidal particles,considering oblate and prolate spheroids and spheres,and investigate the shape effect on the particle dynamics in suspensions wit... In this study,we perform particle-resolved simulations of settling spheroidal particles,considering oblate and prolate spheroids and spheres,and investigate the shape effect on the particle dynamics in suspensions with volume fraction 1%and 5%.We first examine the single-point statistics of the translational and rotational motion of the settling particles.The horizontal velocity has a symmetrical distribution with standard deviation dependent on the particle shape.The greater horizontal velocity fluctuations of the non-spherical particles,compared to that of spheres,are attributed to the horizontal drift of settling spheroids with oblique orientations induced by the fluid-particle and particle-particle interactions.The fluctuation of particle vertical velocity,instead,is skewed under the effect of wake-induced hydrodynamic interactions.Further,we explore the particle pair statistics,which demonstrate the formation of column-like particle micro-structures for the lowest volume fraction considered.This clustering is more pronounced for spheroidal particles than spheres,due to the stronger attractions among vertically-aligned settling spheroids.Moreover,the particle pair statistics are directly related to the collision rate among the dispersed particles.The local accumulation of oblate/prolate spheroids serves as the major mechanism to promote the particle-particle collisions in dilute suspensions. 展开更多
关键词 Particle sedimentation dynamics Collision rate Immersed boundary method
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Rational design of VHL-recruiting KRAS^(G12C) proteolysis-targeting chimeras based on molecular dynamics simulation
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作者 Shiyang Sun Ning Yang +16 位作者 Yaqiu Mao Ting Wei Pengli Wei Tingting Yang Yixin Zhang Jian Yan Changkai Jia Yi Li Xu Cai Zhiyuan Zhao Xuesong Feng Xiaomei Zhuang Wenpeng Zhang Junhai Xiao Pengyun Li Zhibing Zheng Song Li 《Chinese Chemical Letters》 2026年第2期308-313,共6页
The von Hippel-Lindau tumor suppressor(VHL)has been extensively used to develop degraders targeting numerous proteins of interest.However,studies on the rational design of VHL-proteolysis-targeting chimeras(PROTACs)re... The von Hippel-Lindau tumor suppressor(VHL)has been extensively used to develop degraders targeting numerous proteins of interest.However,studies on the rational design of VHL-proteolysis-targeting chimeras(PROTACs)remain scarce.This study aimed to develop strategies to investigate VHL-recruiting PROTACs connecting with varying attachment sites on VHL ligands,which could be utilized for KRAS^(G12C) degraders development and expanded to additional targets.We developed a molecular dynamics(MD)-based strategy to explore the stability of ternary complexes induced by KRAS^(G12C) PROTACs with four distinct attachment sites of VH032.We found a potent degrader namely YN14-H,linked to hydroxyl group on VH032 benzene ring,exhibited the most superior ability of inducing ternary complexes,reflected by the lowest dissociation constant(Kd)for ternary complex induction and the highest AlphaScreen(AS)-based interaction.YN14-H inhibited cell growth with low nanomolar half maximal inhibitory concentration(IC_(50))and half maximal degradation concentration(DC_(50))values as well as>98%of maximum degradation(D_(max))in NCI-H358 and MIA PaCa-2 cells harboring KRAS^(G12C)-mutation.Mechanistically,YN14-H significantly induced apoptosis and inhibited the migratory capacity.Notably,YN14-H demonstrated favorable pharmacokinetic properties and excellent antitumor activity in vivo.Furthermore,bromodomain-containing protein 7(BRD7)and Bruton tyrosine kinase(BTK)degraders attached to distinct sites on VH032 further verified the rationality and universality of our MD-based strategies.Our findings demonstrated that YN14-H could serve as a promising candidate for the treatment of tumors with KRAS^(G12C)-mutation and present a strategy for the rational design of VHL-recruiting PROTACs that target additional proteins at distinct attachment sites. 展开更多
关键词 PROTACs VHL KRAS^(G12C) Rational drug design Molecular dynamics
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Neural hysteresis friction modeling for industrial robot dynamics identification
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作者 Zelin DENG Xing LIU +2 位作者 Xuechun QIAO Yunlong DONG Yilin MO 《Science China(Technological Sciences)》 2026年第3期165-176,共12页
Industrial robot dynamics lay the foundation for high-precision and high-speed control, and accurate identification of dynamic parameters is essential for precise dynamic calculations. The choice of friction models is... Industrial robot dynamics lay the foundation for high-precision and high-speed control, and accurate identification of dynamic parameters is essential for precise dynamic calculations. The choice of friction models is a critical component in the identification of industrial robot dynamics. Traditional static friction models struggle to capture the hysteresis effects caused by robot joint elasticity and clearances, leading to large torque prediction errors when the joint velocity crosses zero. Due to the presence of hysteresis effects, the joint velocity crosses zero in the forward direction, and the reverse direction will have different friction patterns. Although the hysteresis effects can be modeled as an ordinary differential equation(ODE), it is difficult to determine the ODE structure that achieves both generalization and accuracy to describe the hysteresis effects of the friction model. To address this issue, we propose the neural hysteresis friction(NHF), which uses neural ODE to model the hysteresis effects in a data-driven manner, thereby mitigating the current inadequacies in the study of dynamic friction characteristics. The experiments on a real 6-axis industrial robot demonstrate that our proposed method can accurately model the friction dynamics during directional switching and outperform other modeling methods. Velocity tracking control experiments show that NHF can effectively reduce tracking errors when the velocity crosses zero. 展开更多
关键词 industrial robot dynamics identification hysteresis friction modeling neural ODE
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Fluid mechanics approach to assess airflow dynamics during the respiratory cycle in a child nasal airway with adenoid hypertrophy
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作者 Zahid Ullah Khan Xizhuo Jiang +1 位作者 Jingliang Dong Xiaodong Wang 《Acta Mechanica Sinica》 2026年第1期162-177,共16页
The airflow mechanics in adult nasal airways,whether healthy or abnormal,are extensively studied and investigated,but the flow mechanics in child nasal airways remain underexplored.This study investigates the airflow ... The airflow mechanics in adult nasal airways,whether healthy or abnormal,are extensively studied and investigated,but the flow mechanics in child nasal airways remain underexplored.This study investigates the airflow mechanics in the child’s nasal upper airway with adenoid hypertrophy,with an adenoid nasopharyngeal ratio(AN of 0.9),under cyclic inhalation and exhalation.An inlet respiratory cycle with three different flow rates(3.2 L/min calm breathing,8.6 L/min normal breathing,and 19.3 L/min intensive breathing)was simulated by using the computational fluid dynamics approach.To better capture the interaction between airflow and the flexible airway tissue,fluid-structure interaction analysis was performed at the normal breathing rate.Comparing the airflow dynamics during inhalation and exhalation,the pressure drops,nasal resistance,and wall shear stress show significant differences in the nasopharyngeal region for all different flow rates.This observation suggests that the inertial effect associated with the transient flow is important during exhalation and inhalation.Furthermore,the considerable temporal variation in flow rate distribution across a specific cross-section of the nasal airway highlights the critical role of transient data in virtual surgery planning and data for clinical decisions. 展开更多
关键词 Computational fluid dynamics Child nasal airway Nasal breathing cycle Flow mechanics Nasal resistance Pressure drop Wall shear stress
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Mitochondrial dynamics dysfunction and neurodevelopmental disorders:From pathological mechanisms to clinical translation
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作者 Ziqi Yang Yiran Luo +5 位作者 Zaiqi Yang Zheng Liu Meihua Li Xiao Wu Like Chen Wenqiang Xin 《Neural Regeneration Research》 2026年第5期1926-1946,共21页
Mitochondrial dysfunction has emerged as a critical factor in the etiology of various neurodevelopmental disorders, including autism spectrum disorders, attention-deficit/hyperactivity disorder, and Rett syndrome. Alt... Mitochondrial dysfunction has emerged as a critical factor in the etiology of various neurodevelopmental disorders, including autism spectrum disorders, attention-deficit/hyperactivity disorder, and Rett syndrome. Although these conditions differ in clinical presentation, they share fundamental pathological features that may stem from abnormal mitochondrial dynamics and impaired autophagic clearance, which contribute to redox imbalance and oxidative stress in neurons. This review aimed to elucidate the relationship between mitochondrial dynamics dysfunction and neurodevelopmental disorders. Mitochondria are highly dynamic organelles that undergo continuous fusion and fission to meet the substantial energy demands of neural cells. Dysregulation of these processes, as observed in certain neurodevelopmental disorders, causes accumulation of damaged mitochondria, exacerbating oxidative damage and impairing neuronal function. The phosphatase and tensin homolog-induced putative kinase 1/E3 ubiquitin-protein ligase pathway is crucial for mitophagy, the process of selectively removing malfunctioning mitochondria. Mutations in genes encoding mitochondrial fusion proteins have been identified in autism spectrum disorders, linking disruptions in the fusion-fission equilibrium to neurodevelopmental impairments. Additionally, animal models of Rett syndrome have shown pronounced defects in mitophagy, reinforcing the notion that mitochondrial quality control is indispensable for neuronal health. Clinical studies have highlighted the importance of mitochondrial disturbances in neurodevelopmental disorders. In autism spectrum disorders, elevated oxidative stress markers and mitochondrial DNA deletions indicate compromised mitochondrial function. Attention-deficit/hyperactivity disorder has also been associated with cognitive deficits linked to mitochondrial dysfunction and oxidative stress. Moreover, induced pluripotent stem cell models derived from patients with Rett syndrome have shown impaired mitochondrial dynamics and heightened vulnerability to oxidative injury, suggesting the role of defective mitochondrial homeostasis in these disorders. From a translational standpoint, multiple therapeutic approaches targeting mitochondrial pathways show promise. Interventions aimed at preserving normal fusion-fission cycles or enhancing mitophagy can reduce oxidative damage by limiting the accumulation of defective mitochondria. Pharmacological modulation of mitochondrial permeability and upregulation of peroxisome proliferator-activated receptor gamma coactivator 1-alpha, an essential regulator of mitochondrial biogenesis, may also ameliorate cellular energy deficits. Identifying early biomarkers of mitochondrial impairment is crucial for precision medicine, since it can help clinicians tailor interventions to individual patient profiles and improve prognoses. Furthermore, integrating mitochondria-focused strategies with established therapies, such as antioxidants or behavioral interventions, may enhance treatment efficacy and yield better clinical outcomes. Leveraging these pathways could open avenues for regenerative strategies, given the influence of mitochondria on neuronal repair and plasticity. In conclusion, this review indicates mitochondrial homeostasis as a unifying therapeutic axis within neurodevelopmental pathophysiology. Disruptions in mitochondrial dynamics and autophagic clearance converge on oxidative stress, and researchers should prioritize validating these interventions in clinical settings to advance precision medicine and enhance outcomes for individuals affected by neurodevelopmental disorders. 展开更多
关键词 autophagic clearance autism spectrum disorders cellular homeostasis fusion and fission mitochondrial dynamics MITOPHAGY neural regeneration neuronal energy metabolism neurodevelopmental disorders oxidative stress
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Enabling Intrinsic Antiferroelectricity in Two-dimensional NbOCl_(2):Molecular Dynamics Simulations based on Deep Learning Interatomic Potential
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作者 Jiawei Mao Yinglu Jia +2 位作者 Gaoyang Gou Shi Liu Xiao Cheng Zeng 《Chinese Physics Letters》 2026年第1期156-178,共23页
Compared to the well-studied two-dimensional(2D)ferroelectricity,the appearance of 2D antiferroelectricity is much rarer,where local dipoles from the nonequivalent sublattices within 2D monolayers are oppositely orien... Compared to the well-studied two-dimensional(2D)ferroelectricity,the appearance of 2D antiferroelectricity is much rarer,where local dipoles from the nonequivalent sublattices within 2D monolayers are oppositely oriented.Using NbOCl_(2) monolayer with competing ferroelectric(FE)and antiferroelectric(AFE)phases as a 2D material platform,we demonstrate the emergence of intrinsic antiferroelectricity in NbOCl_(2) monolayer under experimentally accessible shear strain,along with new functionality associated with electric field-induced AFE-to-FE phase transition.Specifically,the complex configuration space accommodating FE and AFE phases,polarization switching kinetics,and finite temperature thermodynamic properties of 2D NbOCl_(2) are all accurately predicted by large-scale molecular dynamics simulations based on deep learning interatomic potential model.Moreover,room temperature stable antiferroelectricity with low polarization switching barrier and one-dimensional collinear polarization arrangement is predicted in shear-deformed NbOCl_(2) monolayer.The transition from AFE to FE phase in 2D NbOCl_(2) can be triggered by a low critical electric field,leading to a double polarization–electric(P–E)loop with small hysteresis.A new type of optoelectronic device composed of AFE-NbOCl_(2) is proposed,enabling electric“writing”and nonlinear optical“reading”logical operation with fast operation speed and low power consumption. 展开更多
关键词 d monolayers local dipoles nonequivalent sublattices intrinsic antiferroelectricity two dimensional nbocl d antiferroelectricity experimentally accessible shear strainalong molecular dynamics simulations
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Magnetic-Mediated Carrier, Phonon and Spin Dynamics in the Ferromagnetic Semiconductor (In,Fe)Sb
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作者 K.Hu X.H.Zhu +2 位作者 H.L.Wang D.H.Wei J.Qi 《Chinese Physics Letters》 2025年第5期206-214,共9页
We investigate the carrier, phonon, and spin dynamics in the ferromagnetic semiconductor(In,Fe)Sb using ultrafast optical pump-probe spectroscopy. We discover two anomalies near T^(*)(~40 K) and T^(†)(~200 K) in the p... We investigate the carrier, phonon, and spin dynamics in the ferromagnetic semiconductor(In,Fe)Sb using ultrafast optical pump-probe spectroscopy. We discover two anomalies near T^(*)(~40 K) and T^(†)(~200 K) in the photoexcited carrier dynamics, which can be attributed to the electron-spin and spin-lattice scattering processes influenced by the magnetic phase transition and modifications in magnetic anisotropy. The magnetization change can be revealed by the dynamics of coherent acoustic phonon. We also observe abrupt changes in the photoinduced spin dynamics near T^(*)and T^(†), which not only illustrate the spin-related scatterings closely related to the long-range magnetic order, but also reveal the D'yakonov–Perel and Elliott–Yafet mechanisms dominating at temperatures below and above T^(†), respectively. Our findings provide important insights into the nonequilibrium properties of the photoexcited(In,Fe)Sb. 展开更多
关键词 magnetization change photoexcited carrier dynamics spin dynamics magnetic mediated carrier dynamics ferromagnetic semiconductor modifications magnetic anisotropy phonon dynamics coherent acoustic phonon
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Driven Critical Dynamics in the Tricitical Point
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作者 Ting-Long Wang Yi-Fan Jiang Shuai Yin 《Chinese Physics Letters》 2025年第11期1-8,共8页
The conventional Kibble–Zurek mechanism,describing driven dynamics across critical points based on the adiabatic-impulse scenario(AIS),has attracted broad attention.However,the driven dynamics at the tricritical poin... The conventional Kibble–Zurek mechanism,describing driven dynamics across critical points based on the adiabatic-impulse scenario(AIS),has attracted broad attention.However,the driven dynamics at the tricritical point with two independent relevant directions have not been adequately studied.Here,we employ the time-dependent variational principle to study the driven critical dynamics at a one-dimensional supersymmetric Ising tricritical point.For the relevant direction along the Ising critical line,the AIS apparently breaks down.Nevertheless,we find that the critical dynamics can still be described by finite-time scaling in which the driving rate has a dimension of r_(μ)=z+1/v_(μ)with z and v_(μ)being the dynamic exponent and correlation length exponent in this direction,respectively.For driven dynamics along another direction,the driving rate has a dimension of r_(p)=z+1/v_(p)with v_(p)being another correlation length exponent.Our work brings a new fundamental perspective into nonequilibrium critical dynamics near the tricritical point,which could be realized in programmable quantum processors in Rydberg atomic systems. 展开更多
关键词 driven dynamics across critical points finite time scaling dynamic exponent driven dynamics time dependent variational principle Kibble Zurek mechanism tricritical point driven critical dynamics
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Dislocation Propagation and Mechanical Properties in Poly(p-phenylene terephthalamide) Fibers: An All-atom Molecular Dynamics Simulation
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作者 Jia Wan Ran Chen +1 位作者 Chuan-Fu Luo Xiao-Niu Yang 《Chinese Journal of Polymer Science》 2026年第2期549-559,I0017,共12页
This study uses all-atom molecular dynamics simulations to investigate the dislocation propagation, stress transmission, and mechanical properties in poly(p-phenylene terephthalamide) fibers under uniaxial tension. Th... This study uses all-atom molecular dynamics simulations to investigate the dislocation propagation, stress transmission, and mechanical properties in poly(p-phenylene terephthalamide) fibers under uniaxial tension. The results indicate that the dislocation propagates and the stress transfers not only along the fiber axis but also between adjacent molecular chains through hydrogen bonds, demonstrating their influence on the yield behavior. As the degree of polymerization increases, breakage of covalent bonds and interchain slippage contribute to the yield of fibers together. This work provides theoretical guidance for the design and manufacturing of high-performance fibers. 展开更多
关键词 Molecular dynamic simulation Poly(p-phenylene terephthalamide)fiber Mechanical property Hydrogen bond
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Stability assessment of inverter-dominated power systems considering coupling between phase angle and voltage dynamics
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作者 Cong Fu Shuiping Zhang +1 位作者 Shun Li Feng Liu 《iEnergy》 2025年第3期157-164,共8页
The integration of renewable energy sources(RESs)with inverter interfaces has fundamentally reshaped power system dynamics,challenging traditional stability analysis frameworks designed for synchronous generator-domin... The integration of renewable energy sources(RESs)with inverter interfaces has fundamentally reshaped power system dynamics,challenging traditional stability analysis frameworks designed for synchronous generator-dominated grids.Conventional classifica-tions,which decouple voltage,frequency,and rotor angle stability,fail to address the emerging strong voltage‒angle coupling effects caused by RES dynamics.This coupling introduces complex oscillation modes and undermines system robustness,neces-sitating novel stability assessment tools.Recent studies focus on eigenvalue distributions and damping redistribution but lack quantitative criteria and interpretative clarity for coupled stability.This work proposes a transient energy-based framework to resolve these gaps.By decomposing transient energy into subsystem-dissipated components and coupling-induced energy exchange,the method establishes stability criteria compatible with a broad variety of inverter-interfaced devices while offering an intuitive energy-based interpretation for engineers.The coupling strength is also quantified by defining the relative coupling strength index,which is directly related to the transient energy interpretation of the coupled stability.Angle‒voltage coupling may induce instability by injecting transient energy into the system,even if the individual phase angle and voltage dynamics themselves are stable.The main contributions include a systematic stability evaluation framework and an energy decomposition approach that bridges theoretical analysis with practical applicability,addressing the urgent need for tools for managing modern power system evolving stability challenges. 展开更多
关键词 Power system stability dynamic coupling inverter-interfaced device stability criteria phase angle dynamics voltage dynamics
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Corrigendum to“Spatiotemporal dynamics of neuron differentiation and migration in the developing human spinal cord”[J.Genet.Genom.52(2025)1283-1295]
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作者 Yuan Yu Mengjie Pan +8 位作者 Quanyou Cai Ziyu Feng Baomei Cai Kaixuan Lin Shangtao Cao Mingwei Min Lihui Lin Yanlin Ma Jiekai Chen 《Journal of Genetics and Genomics》 2025年第12期I0003-I0003,共1页
The authors regret to report the following error made in“Spatiotemporal dynamics of neuron differentiation and migration in the developing human spinal cord;52(2025)-101283-1295;Doi:https://doi.org/10.1016/j.jgg.2025... The authors regret to report the following error made in“Spatiotemporal dynamics of neuron differentiation and migration in the developing human spinal cord;52(2025)-101283-1295;Doi:https://doi.org/10.1016/j.jgg.2025.08.004”.In Tables S1 and S2 in the supplementary materials of this paper,some items were written in Chinese.The corresponding pictures and tables were not uploaded in time. 展开更多
关键词 developing human spinal cord neuron differentiation dynamics neuron differentiation migration MIGRATION supplementary materials spatiotemporal dynamics
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Collective Pinning and Vortex Dynamics in Type Ⅱ Superconducting Thin Films with Varying Magnetic Field at T→0
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作者 Yu Wu Liangliang Guo +9 位作者 Renfei Wang Jiawei Li Kenji Watanabe Takashi Taniguchi Shuang Jia Mingliang Tian Xiaobo Lu Hangwen Guo Jian Shen Yang Liu 《Chinese Physics Letters》 2025年第10期221-237,共17页
When a perpendicular magnetic field penetrates a thin slab of a type-Ⅱ superconductor it produces vortices,with one vortex per flux quantum,h/2e.The vortices interact repulsively and form an ordered array(Abrikosov l... When a perpendicular magnetic field penetrates a thin slab of a type-Ⅱ superconductor it produces vortices,with one vortex per flux quantum,h/2e.The vortices interact repulsively and form an ordered array(Abrikosov lattice)in clean systems,while strong disorder changes the lattice into a vortex glass.The collective vortex dynamics is extremely vulnerable to external perturbations.Consequently,although of great importance,experimental observation is limited.Here we investigate type-Ⅱ superconducting films(PdBi_(2)and NbSe_(2))with surface acoustic waves(SAWs)at mK temperature.When sweeping the magnetic field at an extremely slow rate,we observe a series of spikes in the attenuation and velocity of the SAW,on average separated in field by approximately Hc1.We propose the following scenario:The vortex-free region at the edges of the film produces an edge barrier across which the vortices can enter or leave.When the applied field changes,the induced supercurrents flowing along this edge region lowers this barrier until there is an instability.At that point,vortices avalanche into(or out of)the bulk and change the vortex crystal,suggested by the sharp jump in each such spike.The vortices then gradually relax to a new stable pinned configuration,leading to a~30 s relaxation after the jump.Our observation enriches the limited experimental evidence on the important topic of real-time vortex dynamics in superconductors. 展开更多
关键词 typeⅡsuperconducting thin films collective vortex dynamics magnetic field strong disorder collective pinning vortex dynamics perpendicular magnetic field ordered array abrikosov lattice
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Dynamics of Charged Ring Polymers under Gel Confinement
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作者 Lu-Jie Huo Kai-Ru Qu +1 位作者 Zhen-Zhong Yang Di Jia 《Chinese Journal of Polymer Science》 2025年第3期399-405,共7页
Ring polymers are ubiquitous in various fields including biomaterials,drug release and gene therapy.All of these applications involve the dynamics and diffusion process of ring polymers in a confined environment.By us... Ring polymers are ubiquitous in various fields including biomaterials,drug release and gene therapy.All of these applications involve the dynamics and diffusion process of ring polymers in a confined environment.By using dynamic light scattering(DLS),we discovered a dynamical transition for charged ring polymers with increasing ring concentration in the gel matrix from a diffusive state to a non-diffusive topological frustrated state with a more compact conformation.When the ring polymer size is smaller than the mesh size of the gel matrix,the rings are diffusive at low concentration of 5 g/L.The ring diffusion coefficient in the gel matrix is an order of magnitude smaller than that of rings in solution,obeying the Ogston's model.At high ring concentration of 40 g/L,the collective dynamical behavior of the charged rings exhibits a topologically frustrated non-diffusive state,which may originate from the inter-ring threading with the external confinement from the gel matrix.Based on our previous theoretical work,we also conjectured that in such a non-diffusive state,the ring polymers might adopt a more compact conformation with the overall size exponentν=1/3. 展开更多
关键词 Charged ring polymer dynamics under confinement Non-diffusive topologically frustrated dynamics Dynamic light scattering Collective diffusion coefficient
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