Step-like Change Research Articles

Ferroelectric, Switchable Dielectric and Nonlinear Optical Properties in Inorganic-Organic Lead-Free 1D Hybrids Based on Bi(III) and Azetidine: (C3NH8)2[BiCl5], (C3NH8)2[BiBr5

This study investigates lead-free organic-inorganic hybrids (C3NH8)2[BiCl5] (ABC) and (C3NH8)2[BiBr5] (ABB), focusing on their structural, dielectric, ferroelectric, and optical properties. Both compounds exhibit paraelectric (I) to ferroelectric (II) phase transitions (PTs) at 230/233 K and 228/229 K, respectively, transitioning from orthorhombic (Pnma) to monoclinic (P21) phases, with distorted [BiX6]3- octahedra forming 1D chains. Quasielastic neutron scattering and solid-state 1H NMR studies reveal the localized motion of azetidinium cations. Dielectric measurements of ABC and ABB show step-like permittivity changes by 11-12 units post-transition I → II, demonstrating reversible switching behavior. Absorption studies reveal band gaps of 3.24 eV for ABC and 2.76 eV for ABB, classifying them as insulators. Luminescence spectra at 77K display 578 nm (ABC) and 708 nm (ABB) emissions, attributed to 3P1,0 → 1S0 transitions. Both compounds demonstrate stable second harmonic generation (SHG) switching of the on-off type. The switching performance is evaluated over multiple thermal cycles using the treq metric, which decreases with increasing temperature change rate and indicates that ABB's SHG switching is approximately 30% faster than that of ABC.

Acoustic emission characteristics of coal and limestone failure based on MFCC

Fractures in the rock surrounding karst caves can result in substantial surface subsidence, especially in mining areas with abundant carbonate rocks. Acoustic emission (AE) is a crucial signal associated with rock fracture mechanics and lithology. This study aimed to distinguish the AE features between coal and limestone using the MFCC-based method and universal AE analysis method in conjunction with uniaxial compression tests. The results indicated that the MFCC-4–6 of AE could distinguish between coal and limestone prior to rock failure. The MFCC-1–6 of limestone exhibited a tail-like pattern change on the stress sawtooth and a step-like pattern change after reaching peak stress. The fluctuation degree of MFCC-2–5 exhibited an initial transition from small to large, followed by a subsequent transition from large to small, reaching its maximum value during the elastic deformation stage. Additionally, the power law distribution index of AE energy in the magnitude range of 102–104 for coal was larger than that for limestone. The AE events in coal were mainly characterized by shear fractures, while limestone exhibited more tension fractures than coal, as indicated by the AF/RA analysis. Furthermore, the lower the AE peak frequency, the larger the scale of fracturing in coal and limestone. These findings are valuable for ground control and early warning of rock failure.

Phase Transition and Switchable Dielectric Properties of a Three-Dimensional Hydrogen-Bonding Framework Based on Cobalt (Ⅲ), o-Bromoaniline, and 18-Crown-6

The organic–inorganic hybrid compound, (o-BrAH)[H2Co(CN)6]0.5·(18-crown-6)0.5·H2O, was synthesized and characterized by variable-temperature X-ray diffraction, single-crystal diffraction, infrared spectroscopy, elemental analysis, thermogravimetric analysis, differential scanning calorimetry, and dielectric measurements. Single-crystal X-ray diffraction revealed a three-dimensional cage-like structure formed through the hydrogen bonds of cobalt hexacyanide, supermolecular cations, and water molecules. Temperature variation triggered an abrupt change in the cage structure and simultaneously caused dynamic oscillation of the supramolecules within the framework of [Co(CN)6]3−, inducing a phase transition accompanied by a step-like change in the dielectric physical properties.

Statistical analysis of equatorial electrojet responses to the transient changes of solar wind conditions

Introduction: Prior case studies have indicated that changes in solar wind conditions have a significant impact on equatorial ionospheric electrodynamics. However, there have been limited statistical studies on this topic, impairing our understanding of the coupling between solar wind, magnetosphere, and equatorial ionosphere electrodynamics.Methods: In this study, we conducted a superposed epoch analysis of long-term data from the South America equatorial electrojet (EEJ) spanning from 2001 to 2021 examining the responses of the equatorial ionospheric electric field to step-like changes in solar wind velocity, density, dynamic pressure, and interplanetary magnetic field (IMF) Bz.Result: Our study shows that step-like changes in solar wind velocity, density, and dynamic pressure can trigger changes in EEJ within ∼20–40 min. EEJ exhibits the highest sensitivity to variations in solar wind velocity while being relatively less sensitive to changes in dynamic pressure. Furthermore, the response of EEJ shows greater responsiveness to northward IMF Bz compared to southward IMF Bz.Discussion: Our work provides statistical evidence of how changes in solar wind can lead to changes in low-latitude ionospheric EEJ. We inferred that the changes in solar wind conditions cause magnetospheric deformation and changes in magnetic reconnection rates, leading to the fluctuations of the ionospheric electric field and the resultant EEJ variations.

Detection of temporal fluctuation in superconducting qubits for quantum error mitigation

We have investigated instability of a superconducting quantum computer by continuously monitoring the qubit output. We found that qubits exhibit a step-like change in the error rates. This change is repeatedly observed, and each step persists for several minutes. By analyzing the correlation between the increased errors and anomalous variance of the output, we demonstrate quantum error mitigation based on post-selection. We have reduced the errors from 5.4% to 1.6% in a Bell state measurement and from 17.5% to 12.0% in a quantum volume circuit. Numerical analysis on the proposed method was also conducted.

Electrical conductivity of (Ni,Mn,Fe,Cu)3O4 ceramic semiconductors designed for temperature and magnetic field sensing

This research is focused on designing new ceramic oxides with the spinel structure for a potential application as sensitive temperature and magnetic field sensors. In this respect, the mixtures of ferrimagnetic NiFe2O4 with low-resistive Ni0.66Cu0.41Mn1.93O4 semiconductor (molar coefficient α=1/5 and 1/2) were prepared using the chemical co-precipitation technique followed by a low-temperature sintering of the cold-pressed powders. For the prepared materials, a variation of the electrical conductivity σdc with temperature T (in the range 50 K–400 K) is quantitatively analyzed using different theoretical concepts of the charge carrier hopping transport occurring in disordered materials with strong electron-phonon interaction. It has been shown that an increase in α from 0 to 1/2 causes a step-like change of the dc electrical conductivity and, simultaneously, a gradual change in the magnetization M determined in the saturation state. The temperature coefficient of resistance TCR of the prepared ceramics takes the values from −0.6%/K (at 400 K) to −19.6%/K (below 100 K). The highest absolute value of the magneto-resistance coefficient MR determined at 150 K (and at magnetic field 7 T) registered for ceramic oxide with α=1/2 was found to be 3.4%.

Identifying and clearing individual oxygen impurities on graphene through the use of NO2 as a radical scavenger

We present a novel method to detect and eliminate oxygen adatoms on a graphene basal plane, which can be observed as individual single-electron transfer (SET) events through graphene Hall measurements. The central idea, supported by first-principles calculations, is to use NO2 as a radical scavenger, effectively targeting and removing oxygen impurities on graphene. The reaction between NO2 and the oxygen adatom produces a negatively charged NO3− species and creates a hole carrier in graphene. Subsequently, NO3− reacts with NO2 to form N2O5, accompanied by an electron back-donation to graphene. The thermal decomposition of N2O5 produces neutral NO3, which can accept an electron from graphene and return to the NO3− state. Under conditions of low oxygen impurity levels and NO2 partial pressures, these SET reactions induce intermittent, step-like changes in the graphene's Hall resistivity ρxy at room temperature. Notably, the simulated ρxy patterns during NO2 adsorption closely resemble previously observed patterns [Schedin et al., Nat. Mater. 6 (2007) 652–655], suggesting a connection to the proposed SET reactions for unintentionally introduced oxygen impurities. Furthermore, we find that NO2 also reacts with hydroxyl and peroxide groups on the graphene basal plane, removing them by forming HNO3 and N2O5, respectively. Our findings offer a promising approach to remove oxygen-containing functional groups from graphene, paving the way for obtaining high-quality graphene from reduced graphene oxide.

Rate transient analysis of wells exhibiting two-phase (gas+water) flowing by use of pseudopressure-based approach

The primary focus of rate transient analysis (RTA) is put on the estimation of the reserves of gas/water reservoirs. RTA based on the single-phase assumption is limited to gas/water two-phase flow in the development of the material-balance time function. This work aims to propose a practical approach for analyzing production data from wells exhibiting gas/water two-phase flow during both infinite-acting flow (IAF) and boundary-dominated flow (BDF) periods. In this work, we present a comprehensive pseudopressure-based solution associated with the constitutive saturation/pressure (Sw/p) relationship. The pseudovariables, namely pseudopressure and β-factor, have the ability of handling the two-phase nonlinearities in the governing flow equations of gas and water phases and generating the required benchmark analytical solutions for liquid flow equation. By integrating the liquid-type solutions with the principle of Duhamel convolution, a set of gas/water-phase productivity equations are recast for wells producing at different operating conditions, including constant bottomhole-pressure, constant rate and steplike change in bottomhole-pressure/rate. The presented solutions provide a theoretical framework for developing two-phase RTA based on two-phase material-balance pseudotime (MBPT). The RTA method is validated against synthetic cases generated from numerical simulation, and the dependability of two-phase MBPT is also corroborated in detail. A field case example is analyzed to demonstrate the practical applicability of this method. The RTA method provided herein accounts for all flowing phases in the reservoir, and serve as an alternative to numerical model history matching for estimating original gas in place (OGIP) and original water in place (OWIP).

IMPLEMENTATION PECULIARITIES OF METHOD FOR LITHIUM BATTERIES TECHNICAL STATE MONITORING BASED ON ANALYSIS OF RELAXATION PROCESSES CAUSED BY LOAD VARIATIONS

The paper describes a technique for estimating the parameters of the second-order electrical model of lithium battery (LB), based on the analysis of its response to a step-like load change. The advantage of this approach is the implementation with simple and compact measuring equipment. Taking into account the limitations for the maximum LB load, the solution of a system of nonlinear equations when estimating the model parameters can be reduced to solving a system of linear algebraic equations. This finding makes it possible to implement the approach with inexpensive general-purpose microcontrollers. Thus, the paper proposes a method for reducing computational costs, which consists in sequential fitting of experimental relaxation curves with two single-exponential models instead of using a complex two-exponential model. It provides more than twofold reduction in the time for identifying the parameters of the LB’s electrical model. The experimental studies show that the obtained dependences of the equivalent circuit parameters can be explained by the general properties of physicochemical reactions occurring in LB. From a practical point of view, the proposed method has great advantages. First, it has better time localization compared to electrochemical impedance spectrometry. This advantage is especially important for LB due to the effect of the discharge processes on the results. In addition, the response time of diagnostic systems is significantly reduced. Secondly, the proposed method requires simpler and more inexpensive test equipment, which potentially makes it possible to integrate controls into the LB at the manufacturing and exploitation stages.

QT interval time lag in response to heart rate changes during stress test for Coronary Artery Disease diagnosis

Background: Slow adaptation of the QT interval to abrupt changes in heart rate (HR) can enhance ventricular heterogeneity and has been suggested as a marker of arrhythmic risk. Most investigations on QT rate adaptation lag have been performed in response to step-like HR changes. However, abrupt HR changes are difficult to induce or observe in ECG recordings under ambulatory conditions. Objective:We aim to evaluate the power of indices related to the QT lag in response to ramp-like HR changes in stress test to assess CAD risk. Methods:We quantified the lag between the actual QT series and the memoryless expected QT series, which was obtained by fitting a hyperbolic regression model to the instantaneous QT and HR measurements in stages where their behavior could be assumed stationary. The proposed methodology was applied to analyze ECG stress tests of a subset of 448 patients presenting different risk levels for Coronary Artery Disease (CAD). The QT lag was estimated separately in the exercise and recovery phases. Results:An increase in the estimated QT lag during exercise (from 25 to 36 s) and a decrease during recovery (from 57 to 39 s) were associated with higher CAD risk. The difference between these lags showed significant capacity for CAD risk stratification. Conclusion:The QT lag in response to HR changes can be quantified from a stress test. QT lag values in response to ramp-like HR changes are in ranges comparable to those quantified from abrupt HR changes and show clinical significance to stratify CAD risk.

On/off switchable interfacial thermal resistance in graphene/fullerene/graphene heterostructures

Switchable thermal devices are attracting significant research interest as a basic thermal management component. In this work, taking graphene/fullerene/graphene sandwiches as an example, we demonstrate that the interfacial thermal resistance can show a switchable, step-like change by varying the number of fullerenes in the sandwich structure. Changing the number of fullerenes causes a structural transition between the graphene layers from adhered to separated, resulting in an enhancement of about a factor of two in the interfacial thermal resistance during this on/off switchable phenomenon, which we analyze using analytic expressions based on the thermal transport theory. We further illustrate that the switchable phenomenon can also be realized by applying mechanical strain or by varying the temperature of the sandwich structure. This work demonstrates that the sandwich-liked nanoscale heterostructures can exhibit hysteretic changes in heat transport, and thus have promise for potential applications in switchable thermal devices.

Impact of Surface Roughness on the Impingement of Urea–Water Solution Droplets

The understanding of impingement processes is crucial for optimizing automotive selective catalytic reduction (SCR) systems. An accurate description of this behavior helps design exhaust systems and increases the validity of modeling approaches. A component test bench was set up, featuring a droplet chain generator for producing droplet sizes typically found in the urea–water solution sprays of SCR systems. A heatable impingement plate with an interchangeable surface enabled investigation of the influence of surface roughness. Data were acquired using a high-speed camera and image postprocessing. The droplet–wall interaction could be described using different regimes. An approach to characterizing impingement behavior based on weighted-regime superposition enabled gradual transitions between regimes, instead of step-like changes. It was observed that the surface roughness increased the droplet–solid contact area and generated thermal-induced secondary droplets at lower temperatures. A region of enhanced mechanical disintegration of the droplet was found, caused by peaks of the surface shearing off parts of the droplet. The probability of a droplet rebounding from the wall was reduced on a rough surface, due to the interference of the surface spikes with the droplet’s spreading and contracting motion. Additionally, the influence of surface topography was investigated using a shot-peened surface. Caused by this surface’s reduced root mean square slope, the aforementioned enhancement of mechanical disintegration was not observed.

Reconstructing five decades of sediment export from two glacierized high-alpine catchments in Tyrol, Austria, using nonparametric regression

Abstract. Knowledge on the response of sediment export to recent climate change in glacierized areas in the European Alps is limited, primarily because long-term records of suspended sediment concentrations (SSCs) are scarce. Here we tested the estimation of sediment export of the past five decades using quantile regression forest (QRF), a nonparametric, multivariate regression based on random forest. The regression builds on short-term records of SSCs and long records of the most important hydroclimatic drivers (discharge, precipitation and air temperature – QPT). We trained independent models for two nested and partially glacier-covered catchments, Vent (98 km2) and Vernagt (11.4 km2), in the upper Ötztal in Tyrol, Austria (1891 to 3772 m a.s.l.), where available QPT records start in 1967 and 1975. To assess temporal extrapolation ability, we used two 2-year SSC datasets at gauge Vernagt, which are almost 20 years apart, for a validation. For Vent, we performed a five-fold cross-validation on the 15 years of SSC measurements. Further, we quantified the number of days where predictors exceeded the range represented in the training dataset, as the inability to extrapolate beyond this range is a known limitation of QRF. Finally, we compared QRF performance to sediment rating curves (SRCs). We analyzed the modeled sediment export time series, the predictors and glacier mass balance data for trends (Mann–Kendall test and Sen's slope estimator) and step-like changes (using the widely applied Pettitt test and a complementary Bayesian approach). Our validation at gauge Vernagt demonstrated that QRF performs well in estimating past daily sediment export (Nash–Sutcliffe efficiency (NSE) of 0.73) and satisfactorily for SSCs (NSE of 0.51), despite the small training dataset. The temporal extrapolation ability of QRF was superior to SRCs, especially in periods with high-SSC events, which demonstrated the ability of QRF to model threshold effects. Days with high SSCs tended to be underestimated, but the effect on annual yields was small. Days with predictor exceedances were rare, indicating a good representativity of the training dataset. Finally, the QRF reconstruction models outperformed SRCs by about 20 percent points of the explained variance. Significant positive trends in the reconstructed annual suspended sediment yields were found at both gauges, with distinct step-like increases around 1981. This was linked to increased glacier melt, which became apparent through step-like increases in discharge at both gauges as well as change points in mass balances of the two largest glaciers in the Vent catchment. We identified exceptionally high July temperatures in 1982 and 1983 as a likely cause. In contrast, we did not find coinciding change points in precipitation. Opposing trends at the two gauges after 1981 suggest different timings of “peak sediment”. We conclude that, given large-enough training datasets, the presented QRF approach is a promising tool with the ability to deepen our understanding of the response of high-alpine areas to decadal climate change.

Phase jump detection and correction based on the support vector machine

In general, interferometers are used to perform electron density measurements in magnetically confined plasma, where the electron density is dependent on the refractive index of the plasma. Measurements can be made through comparisons of the phase shift variation between the probe and reference laser beam. The plasma electron density should vary continuously during discharge; however, the fringe jump is a step-like change of the apparent electron density caused by a sudden jump of the measured phase shift. The appearance of fringe jump will degrade the interferometric measurements accuracy. This study attempted to solve the fringe jump problem on the polarimeter-interferometer (POINT) diagnostics system of the Experiment Advanced Superconducting Tokamak (EAST) by proposing a support vector machine model for electron density fringe jump detection and correction. The established model can efficiently classify the fringe jump data from the raw measurement data in a manner robust to noise and interference, and subsequently correct the jump. This model greatly improves the correction efficiency and precision of electron density data from the POINT system, and is expected to be embedded into the plasma control system to perform more accurate real-time electron density feedback control. Moreover, the algorithm is not limited to specific fusion devices or interferometer diagnostics, and is applicable to other interferometric measurement systems.

Nature of magnetic transitions and evidence for magnetoelastic coupling in the biskyrmion-host hexagonal compound MnNiGa

The hexagonal compound MnNiGa with Ni2In-type structure has emerged as an important biskyrmion-host system in which these textures are super-stable over a wide temperature range extending from 16 K to the Curie temperature TC ∼350 K under moderate fields. Both the intensity of the external magnetic field and the presence of magnetoelastic coupling are known to play key role in the stability of the skyrmionic textures. Here we present the results of the first comprehensive investigation of the order of the phase transitions and its field dependence along with magnetoelastic (i.e., spin-lattice) coupling using a combined magnetization and high-resolution synchrotron x-ray powder diffraction (SXRPD) study of MnNiGa. The temperature dependence of the magnetization M(T) exhibits a paramagnetic to collinear ferromagnetic (FM) transition at TC (∼347 ± 0.5 K) with thermal hysteresis and negative slope in the Arrott plots across the TC suggesting its first order character. The M(T) plot in the collinear FM phase exhibits an anomalously decreasing behaviour after reaching its peak value at 300 K followed by a step-like change below 210 K due to an additional spin reorientation transition (SRT) to a non-collinear FM phase with TSRT∼200 ± 1 K. The SRT also shows thermal hysteresis characteristic of a first order phase transition. Our field dependent studies reveal stabilization of the collinear FM phase to higher temperatures and destabilization of the SRT transition setting an upper limit on the magnetic field for the observation of biskyrmions in this system. The Rietveld analysis of the SXRPD data reveals anomalies in the unit cell parameters at TC and TSRT without any change in the crystal symmetry. The modelling of the temperature dependence of the unit cell volume in terms of the Debye-Grüneisen equation reveals significant deviation from phonon contributions and the presence of the quadratic spin-lattice coupling below the FM TC, in the precursor SRT regime as well as below TSRT. The present results on the magnetoelastic coupling in the hexagonal MnNiGa may provide the necessary insight towards understanding the extreme sensitivity of the magnetic skyrmionic textures to external stresses.

Effect of Acoustic Oscillations on Non-Equilibrium State of Magnetic Domain Structure in Cubic Ni2MnGa Single Crystal.

Magnetic hysteresis is a manifestation of non-equilibrium state of magnetic domain walls trapped in local energy minima. Using two types of experiments we show that, after application of a magnetic field to a ferromagnet, acoustic oscillations excited in the latter can "equilibrate" metastable magnetic domain structure by triggering the motion of domain walls into more stable configurations. Single crystals of archetypal Ni2MnGa magnetic shape memory alloy in the cubic phase were used in the experiments. The magnetomechanical absorption of ultrasound versus strain amplitude was studied after step-like changes of a polarizing magnetic field. One-time hysteresis was observed in strain amplitude dependences of magnetomechanical internal friction after step-like variations of a polarizing field. We distinguish two ingredients of the strain amplitude hysteresis that are found in the ranges of linear and non-linear internal friction and show qualitatively different behavior for increasing and decreasing applied polarizing fields. The uncovered effect is interpreted in terms of three canonical magnetomechanical internal friction terms (microeddy, macroeddy and hysteretic) and attributed to "triggering" by acoustic oscillations of the irreversible motion of domain walls trapped in the metastable states. To confirm the suggested interpretation we determine the coercive field of magnetization hysteresis through the measurements of the reversible Villari effect. We show that the width of the hysteresis loops decreases when acoustic oscillations in the non-linear range of domain wall motion are excited in the crystal. The observed "equilibration" of the magnetic domain structure by acoustic oscillations is attributed to the periodic stress anisotropy field induced by oscillatory mechanical stress.

Electrochemical potential enables dormant spores to integrate environmental signals

The dormant state of bacterial spores is generally thought to be devoid of biological activity. We show that despite continued dormancy, spores can integrate environmental signals over time through a pre-existing electrochemical potential. Specifically, we studied thousands of individual Bacillus subtilis spores that remain dormant when exposed to transient nutrient pulses. Guided by a mathematical model of bacterial electrophysiology, we modulated the decision to exit dormancy by genetically and chemically targeting potassium ion flux. We confirmed that short nutrient pulses result in step-like changes in the electrochemical potential of persistent spores. During dormancy, spores thus gradually release their stored electrochemical potential to integrate extracellular information over time. These findings reveal a decision-making mechanism that operates in physiologically inactive cells.

The role of β-adrenergic stimulation in QT interval adaptation to heart rate during stress test.

The adaptation lag of the QT interval after heart rate (HR) has been proposed as an arrhythmic risk marker. Most studies have quantified the QT adaptation lag in response to abrupt, step-like changes in HR induced by atrial pacing, in response to tilt test or during ambulatory recordings. Recent studies have introduced novel methods to quantify the QT adaptation lag to gradual, ramp-like HR changes in stress tests by evaluating the differences between the measured QT series and an estimated, memoryless QT series obtained from the instantaneous HR. These studies have observed the QT adaptation lag to progressively reduce when approaching the stress peak, with the underlying mechanisms being still unclear. This study analyzes the contribution of β-adrenergic stimulation to QT interval rate adaptation in response to gradual, ramp-like HR changes. We first quantify the QT adaptation lag in Coronary Artery Disease (CAD) patients undergoing stress test. To uncover the involved mechanisms, we use biophysically detailed computational models coupling descriptions of human ventricular electrophysiology and β-adrenergic signaling, from which we simulate ventricular action potentials and ECG signals. We characterize the adaptation of the simulated QT interval in response to the HR time series measured from each of the analyzed CAD patients. We show that, when the simulated ventricular tissue is subjected to a time-varying β-adrenergic stimulation pattern, with higher stimulation levels close to the stress peak, the simulated QT interval presents adaptation lags during exercise that are more similar to those measured from the patients than when subjected to constant β-adrenergic stimulation. During stress test recovery, constant and time-varying β-adrenergic stimulation patterns render similar adaptation lags, which are generally shorter than during exercise, in agreement with results from the patients. In conclusion, our findings support the role of time-varying β-adrenergic stimulation in contributing to QT interval adaptation to gradually increasing HR changes as those seen during the exercise phase of a stress test.

Rotor Speed and Load Torque Estimations of Induction Motors via LSTM Network

Abstract In this study, a long short-term memory (LSTM) based estimator using rotating axis components of the stator voltages and currents as inputs is designed to perform estimations of rotor mechanical speed and load torque values of the induction motor (IM) for electrical vehicle (EV) applications. For this aim, first of all, an indirect vector controlled IM drive is implemented in simulation to collect both training and test datasets. After the initial training, a fine-tuning process is applied to increase the robustness of the proposed LSTM network. Furthermore, the LSTM parameters, layer size, and hidden size are also optimised to increase the estimation performance. The proposed LSTM network is tested under two different challenging scenarios including the operation of the IM with linear and step-like load torque changes in a single direction and in both directions. To force the proposed LSTM network, it is also tested under the variation of stator and rotor resistances for the both-direction scenario. The obtained results confirm the highly satisfactory estimation performance of the proposed LSTM network and its applicability for the EV applications of the IMs.

Thermal-controlled cellular uptake of "hot" nanoparticles.

Nanoparticles (NPs) have shown immense potential in the field of biomedical applications, particularly in NP-based photothermal therapy, which offers a remote-controlled approach to achieve precise temperature control for site-specific heating and sub-cellular tumor treatment. However, the molecular mechanisms underlying related cellular activities, such as the cellular uptake behavior of irradiated NPs in photothermal effects, remain elusive. In this study, we conducted a thorough investigation of the interaction between an irradiated NP with elevated temperature (ranging from 270 to 360 K) and a model bilayer membrane composed of DPPC or DOPC using nonequilibrium coarse-grained molecular dynamics simulations with the implicit-solvent Dry Martini force field. We observe that the interaction between a "hot" NP and a membrane is thermally regulated. In addition, the wrapping of membranes around NPs exhibits a strong dependence on the temperature of the irradiated NP, demonstrating a step-like change in behavior. This membrane wrapping effect is attributed to the heat conduction between NPs and membrane lipids, which occurs almost simultaneously with the membrane deformation and wrapping of NPs during the NP-membrane interaction process. Especially, during the process of heat conduction, a gel-to-fluid phase transition of the membrane may occur, which plays a crucial role in determining the deformation behavior of the membrane. Moreover, it is found that the membrane lipids in the two leaflets exhibit obvious and asymmetric molecular-level responses to heat flux, characterized by significant changes in packing states (e.g., the order parameter of lipid tails and area per lipid) and possible interdigitation between lipids. Furthermore, the thermal-controlled wrapping effect is tightly linked to the properties of NPs (e.g., size, NP-lipid affinity) and lipid species. Our findings are valuable for comprehending the thermal-regulated cellular internalization of NPs and offer insights into devising strategies to precisely modulate NP endocytosis by exploiting the interplay between heating and NP properties.