Characteristic Relaxation Time Research Articles

T1 Mapping of the Abdomen, From the AJR "How We Do It" Special Series.

By exploiting different tissues' characteristic T1 relaxation times, T1-weighted images help distinguish normal and abnormal tissues, aiding assessment of diffuse and local pathologies. However, such images do not provide quantitative T1 values. Advances in abdominal MRI techniques have enabled measurement of abdominal organs' T1 relaxation times, which can be used to create color-coded quantitative maps. T1 mapping is sensitive to tissue microenvironments including inflammation and fibrosis and has received substantial interest for noninvasive imaging of abdominal organ pathology. In particular, quantitative mapping provides a powerful tool for evaluation of diffuse disease by making apparent changes in T1 occurring across organs that may otherwise be difficult to identify. Quantitative measurement also facilitates sensitive monitoring of longitudinal T1 changes. Increased T1 in liver helps to predict parenchymal fibro-inflammation, in pancreas is associated with reduced exocrine function from chronic or autoimmune pancreatitis, and in kidney is associated with impaired renal function and aids diagnosis of chronic kidney disease. In this review, we describe the acquisition, postprocessing, and analysis of T1 maps in the abdomen and explore applications in liver, spleen, pancreas, and kidney. We highlight practical aspects of implementation and standardization, technical pitfalls and confounding factors, and areas of likely greatest clinical impact.

Thermal Relaxation in Janus Transition Metal Dichalcogenide Bilayers.

In this work, we employ molecular dynamics simulations with semi-empirical interatomic potentials to explore heat dissipation in Janus transition metal dichalcogenides (JTMDs). The middle atomic layer is composed of either molybdenum (Mo) or tungsten (W) atoms, and the top and bottom atomic layers consist of sulfur (S) and selenium (Se) atoms, respectively. Various nanomaterials have been investigated, including both pristine JTMDs and nanostructures incorporating inner triangular regions with a composition distinct from the outer bulk material. At the beginning of our simulations, a temperature gradient across the system is imposed by heating the central region to a high temperature while the surrounding area remains at room temperature. Once a steady state is reached, characterized by a constant energy flux, the temperature control in the central region is switched off. The heat attenuation is investigated by monitoring the characteristic relaxation time (τav) of the local temperature at the central region toward thermal equilibrium. We find that SMoSe JTMDs exhibit thermal attenuation similar to conventional TMDs (τav~10-15 ps). On the contrary, SWSe JTMDs feature relaxation times up to two times as high (τav~14-28 ps). Forming triangular lateral heterostructures in their surfaces leads to a significant slowdown in heat attenuation by up to about an order of magnitude (τav~100 ps).

Small polaron hopping and tunneling mechanisms in Ba0.9La0.1Fe12O19 hexaferrite ceramic at low temperatures

The correlation between dielectric relaxation and conduction mechanisms in the Ba0.9La0.1Fe12O19 ceramic hexaferrite, at temperatures below 100 K was investigated. The sample was prepared using the conventional solid-state reaction method. X-ray diffraction analysis indicated that the sample is composed of a hexagonal BaFe12O19 phase (lattice parameters a = 5.8778(6) Å and c = 23.170(3) Å) and a small proportion of hematite (α-Fe2O3). The average grain size is 1.48 ± 0.4 μm, with irregular hexagonal and agglomerated grains. The magnetic hysteresis curve shows characteristics typical of ferro and ferrimagnetic materials, with an effective magnetic anisotropy coefficient of 0.960×106 emu/cm3 and an anisotropy field of 1.587×104 Oe. A dielectric relaxation process is observed between 50 and 100 K, with an activation energy of 60.4 ± 0.4 meV and a characteristic relaxation time of 2.09 ×10−10 s, mainly attributed to the electrical behavior of the grains. Two conduction mechanisms were identified: small polaron tunneling (high temperatures and low frequencies) and correlated barrier hopping of electrons (low temperatures and high frequencies). The activation energy for free polaron formation, according to the Komine-Iguchi hopping polarization model, was 7.12 ± 0.02 meV. In the dielectric modulus relaxation process between 30 and 54 K, the activation energy was 40.8 ± 0.9 meV, with a characteristic relaxation time of 2.41×10−10 s. The small polaron conductivity in the grain region was 67.52 meV and 54.0 meV in the grain boundary region. The results highlight that the polarization and conduction mechanisms in this ceramic at low temperatures are dominated by small polaron hopping and tunneling, and emphasize the influence of La3+ doping on the structural, magnetic, and electrical properties of barium hexaferrite.

Asphalt-Binder Mixtures Evaluated by T1 NMR Relaxometry

Asphalt pavements make up a majority of the essential transportation systems in the US. Asphalt mixtures age and degrade over time, reducing the pavement performance. Pavement performance critically depends on the aging of asphalt binder. The aging of asphalt binder during construction is traditionally modeled by rolling thin film oven (RTFO) testing, while aging during service life is modeled by pressure aging vessel (PAV) testing. Comparing these models to the aging of binders in actual pavements is limited because, to be used for current testing, binders must be separated from the pavement’s aggregate by solvent extraction. Solvent extraction will, at least in part, compromise the structural integrity of asphalt binder samples. Spin-lattice NMR relaxometry has been shown to nondestructively evaluate asphalt properties in situ through the analysis of hydrogen environments. The molecular mobility of hydrogen environments and with it the stiffness of asphalt binder samples can be determined by characteristic T1 relaxation times, indicating the complexity of asphalt-binder aging. In this study, two laboratory-generated asphalt mixtures, a failed field sample, and several laboratory-aged binder samples are compared by NMR relaxometry. NMR relaxometry was found to be able to differentiate between asphalt samples based on their binder percentage. According to the relaxometry findings, the RTFO binder aging compared favorably to the 6% laboratory-mixed sample. The PAV aging, however, did not compare well to the relaxometry results found for the field-aged sample. The amount of aggregate was found to have an influence on the relaxation times of the binder in the mixed samples and an inverse proportionality of the binder content to the primary NMR relaxation time was detected. It is concluded that molecular water present in the pores of the aggregate material gives rise to such a relationship. The findings of this study lay the foundation for nondestructive asphalt performance evaluation by NMR relaxometry.

Unraveling the Roles of Switching and Relaxation Times in Volatile Electrochemical Memristors to Mimic Neuromorphic Dynamical Features

AbstractComputing through ensembles of interacting dynamical elements is the next frontier of the diverse field of neuromorphic computing. Spiking neural networks are one of the possible examples. Computation through dynamics and through time requires the development of novel technologies for devices with rich dynamics. Among the various candidates, the most promising ones are volatile electrochemical memristive systems that switch from high to low resistance state by voltage application and self‐recover the high resistance state after a tunable relaxation time. Such devices can perform a wide variety of computational primitives. However, a clear comprehensive picture of their possible dynamics and their physical interpretation is still missing. In the present manuscript, prototypical electrochemical silver/silicon oxide/platinum (Ag/SiOx/Pt) memristive devices are characterized to identify dynamical aspects, like integrative effects and stochastic switching. Integrative effects are evidenced both in high and low resistance states, associated to wake‐up phase and cumulative switching. All the dynamical aspects are related to characteristic switching times and relaxation times, and with reference to the electrochemical and physical processes involved in device operation. The various dynamical aspects are linked to short‐term memory effects and basic temporal processing functions based on paired‐pulse effects that are relevant for neuromorphic applications.

Characteristic Vibrational and Rotational Relaxation Times for Air Species from First-Principles Calculations

We present molecular-scale computational rotational-vibrational relaxation studies for N2, O2, and NO. Characteristic relaxation times for diatom-diatom and diatom-atom interactions are calculated using direct molecular simulation (DMS), with ab initio potential energy surfaces (PESs) as the sole model input. Below approximately 8000 K our N2−N2, O2−O2, and O2−N2 vibrational relaxation times agree well with the Millikan–White (M&W) correlation, but gradually diverge at higher temperatures. Park’s high-temperature correction produces a relatively steeper temperature rise compared to our estimates. DMS further shows that, with increasing temperature, the gap between vibrational and rotational relaxation times shrinks for all species. At T>30,000K their magnitudes become comparable and a clear distinction between both energy modes becomes meaningless. For other interactions, our DMS results differ substantially from the M&W correlation, both in magnitude and temperature dependence. Our predicted N2−O2 vibrational relaxation times are noticeably shorter due to vibration-vibration transfer. For O2−O we observe minimal temperature dependence. Our O2−N and N2−N predictions follow the M&W temperature trend at values roughly one order of magnitude smaller. For NO−NO, N2−O, NO−N, and NO−O we generate partial data due to currently incomplete PES sets. These first-principles-derived relaxation times are useful for informing relaxation models in gas-kinetic and fluid-dynamics simulations of high-enthalpy flows.

Reprocessable and repairable carbon fiber reinforced vitrimer composites based on thermoreversible dynamic covalent bonding

The emergence of vitrimers breaks through the limitation of traditional carbon fiber reinforced thermoset composites (CFRP) caused by their permanent crosslinking molecular networks. Herein, the dynamic cross-linked network of vitrimer was synthesized from Bisphenol A diglycidyl ether (DGEBA) and glutaric anhydride (GA) under the catalysis of zinc acetylacetonate (Zn(acac)2), and the corresponding carbon fiber reinforced vitrimer composites (CF/Vx) were prepared via an impregnation and hot pressing process. The dynamic covalent adaptable networks (CANs) of vitrimer endow CF/Vx with stress relaxation and creep characteristics. By adjusting the catalyst content, the dynamic performance of CF/V0.05 can be optimized to achieve the highest viscous flow activation energy (60 kJ/mol) and the lowest characteristic relaxation time (1.0 × 10−3 s). The unique dynamic properties enable CF/Vx with reprocessability at high temperature. Typically, the flexural modulus of CF/V0.05 decreased from 87 ± 1.81 GPa at room temperature to 4.62 ± 0.28 GPa at 220 °C, which confirms the feasibility of thermoplastic forming of CF/V0.05 at high temperatures. Based on this, a CF/V0.05-based cap-shaped component was successfully manufactured through a thermoforming process. Additionally, the CF/V0.05 composites also exhibit repairability for interlaminar fractures. The optimal CF/V0.05 can achieve a repair efficiency of 128 % under the hot press conditions of 180 °C, 10 MPa and 1 h. Hence, the reprocessable and repairable CF/Vx composites hold enormous potential in the engineering field.

Pore structure characterization and reservoir quality prediction in deep and ultra-deep tight sandstones by integrating image and NMR logs

Pore structure and fracture determine reservoir quality in deep and ultra-deep tight sandstones, however, the limited availability of core data makes it challenging to describe the complexity of pore-throat structure and characterize the wide range of fractures. To fill this gap, a comprehensive analysis was conducted to evaluate pore structure and fractures from multiple perspectives. Integration of core, thin sections, scanning electron microscopy (SEM), high pressure mercury injection (HPMI) and nuclear magnetic resonance (NMR) tests are used to evaluate pore structure and characterize fracture of deep and ultra-deep tight sandstones in the Cretaceous Bashijiqike Formation in the Kuqa Depression. Pore structure and reservoir quality types can be divided into dominantly three types according to characteristics of NMR transverse relaxation time (T2) distribution and HPMI curves. Correlation analysis among HPMI and NMR parameters with petrophysical parameters indicate that maximum pore throat size (rmax), logarithmic mean of T2 (T2gm), irreducible water saturation (Swi), and reservoir quality index (RQI) are the most sensitive parameters for pore structure characterization. The Type Ⅰ pore structure is composed of intergranular and intragranular pores, and NMR T2 spectrum shows the highest magnitude, with the calculated mobile fluid saturation content also being the highest. The Type II and III pore structures are composed of intergranular pores, intragranular dissolved pores and intercrystalline micropores in clay minerals. T2gm of Type II and III are smaller, with the calculated mobile fluid saturation content being the lower.The fracture features and parameters including fracture density, porosity, aperture, and length are analyzed using image logs and core. The pore structure characteristics are quantificationally and qualitatively analyzed by NMR logs. Integration of pore structure and fractures by image logs and NMR logs are used for prediction of high quality reservoir and hydrocarbon productivity. High hydrocarbon productivity is obtained in well intervals with abundant natural fractures, and favorable pore structure will also contribute to high matrix porosity. Therefore, NMR logs and image logs are crucial for evaluating reservoir quality and predicting productivity when calibrated with core and analysis data. The comprehensive analysis integrating core data with geophysical well logs provide important insights for reservoir quality prediction of deep and ultra-deep tight sandstones.

Rheological behaviors of the multi-wall carbon nanotubes/polyethylene composites prepared by a master batch method

In this work, the rheological properties of four multi-wall carbon nanotubes (MWCNTs)/polyethylene (PE) composites containing 1 wt.% (mPEC1), 3 wt.% (mPEC3), 5 wt.% (mPEC5), and 10 wt.% (mPEC10) MWCNTs prepared by the masterbatch method were investigated and compared with those of the pure PE. The rheological investigation includes strain sweeping, frequency sweeping, stress relaxation behavior, yield stress, characteristic relaxation time, temperature effect on linear viscoelastic behavior, and gel behavior. It is mainly found that (1) the MWCNTs-MWCNTs interaction resulting in MWCNTs network structure in the PE matrix and the MWCNTs-PE interfacial interaction increase the storage and loss moduli of the MWCNTs/PE composite in comparison with those of pure PE; (2) the time-temperature equivalence principle is applicable only for pure PE and mPEC1; (3) for gel behavior of MWCNTs/PE composite at 160–180 °C, the φ g value decreases with the increase of temperature and the highest S g value is obtained at 170 °C.

Scaling Properties of Gelling Systems in Nonlinear Shear Experiments.

We study model near-critical polymer gelling systems made of gluten protein dispersions stabilized at different distances from the gel point. We impose different shear rates and follow the time evolution of the stress. For sufficiently large shear rates, an intermediate stress overshoot is measured before reaching the steady state. We evidence self-similarity of the stress overshoot as a function of the applied shear rate for samples with various distances from the gel point, which is related to the elastic energy stored by the samples, as for dense systems close to the jamming transition. In concordance with the findings for glassy and jammed systems, we also measure that the stress after flow cessation decreases as a power law with time, with a characteristic relaxation time that depends on the shear rate previously imposed. These features revealed in nonlinear rheology could be the signature of a mesoscopic dynamics, which would depend on the extent of gelation.

Structural, topological, and rheological characteristics of entangled short-chain branched polymer melts under shear flow in comparison with the linear analog

We present a detailed analysis of the general influence of short branches on the structural, topological, and rheological behaviors of entangled short-chain branched (SCB) polyethylene (PE) melt systems under shear flow via direct comparison with the corresponding linear analogs using extensive atomistic nonequilibrium molecular dynamics (NEMD) simulations, for a wide range of flow strengths. In comparison with the linear melt, the SCB systems generally exhibit more compact chain structures and larger dynamic resistance, in response to an imposed flow field at all flow strengths. These features essentially arise from (i) the increased chain stiffness due to the torsional restriction of backbone atoms around the branch points and (ii) the fast random Brownian motion of short branches via their very short characteristic relaxation time. We analyzed various structural and rheological properties, such as anisotropic chain dimension and orientation and their detailed distributions, topological characteristics of the entanglement network, material functions, chain rotation dynamics, and flow birefringence. Distinctive physical characteristics of the entangled SCB systems exposed by these individual properties can be consistently understood based on the fundamental structural and dynamical roles of short branches. These findings are considered informative in our systematic understanding and prediction for the general rheological behaviors of long entangled SCB polymer systems under flow, and in tuning the material properties of SCB polymers in practical applications.

Bottlebrush Block Copolymers at the Interface of Immiscible Liquids: Adsorption and Lateral Packing.

Amphiphilic bottlebrush block copolymers (BBCPs), having a hydrophilic bottlebrush polymer (BP) linked covalently to a hydrophobic BP, were found to segregate to liquid-liquid interfaces to minimize the free energy of the system. The key parameter influencing the outcome of the experiments is the ratio between the degree of polymerization of the backbone (NBB) and that of the side-chain brushes (NSC). Specifically, a spherical, star-like configuration results when NBB < NSC, while a cylindrical, bottlebrush-like shape is preferred when NBB > NSC. Dynamic interfacial tension (γ) and fluorescence recovery after photobleaching (FRAP) measurements show that the BBCP configuration influences the areal density and in-plane diffusion at the fluid interface. The characteristic relaxation times associated with BBCP adsorption (τA) and reorganization (τR) were determined by fitting time-dependent interfacial tension measurements to a sum of two exponential relaxation functions. Both τA and τR initially increased with NBB up to 92 repeat units, due to the larger hydrodynamic radius in solution and slower in-plane diffusivity, attributed to a shorter cross-sectional diameter of the side-chains near the block junction. This trend reversed at NBB = 190, with shorter τA and τR attributed to increased segregation strength and exposure of the bare water/toluene interface due to tilting and/or wiggling of the backbone chains, respectively. The adsorption energy barrier decreased with higher NBB, due to a reduced BBCP packing density at the fluid interface. This study provides fundamental insights into macromolecular assembly at fluid interfaces, as it pertains to unique bottlebrush block architectures.

Understanding the Role of Loss Modulus of Viscoelastic Substrates in the Evaporation Dynamics of Sessile Drops.

Viscoelastic properties of soft substrates play a crucial role in the evaporation dynamics of sessile drops. Recent studies have revealed that the modification of the viscoelastic properties of substrates changes the dynamics of the three-phase contact line, consequently affecting the evaporation behavior of sessile drops. Notably, these modifications occur without any noticeable changes to the substrate's wetting characteristics or surface topography. However, the individual role of storage (G') and loss (G″) moduli of substrates on drop evaporation dynamics remains unexplored. In this study, we investigate the evaporation dynamics of water drops on two groups of poly(dimethylsiloxane)-based viscoelastic substrates possessing either identical G' with varying G″ or identical G″ with varying G'. Our study reveals that on a substrate with constant shear modulus (G'), a reduction of an order of magnitude in loss modulus shifts the evaporation process from the constant contact radius mode to the constant contact angle mode. We hypothesize that this observed shift in behavior stems from the varying viscoelastic dissipation influenced by the plateau modulus and characteristic relaxation time of polymer gels. Our hypothesis is further supported from the observation that the evaporation process persists on the substrate with constant loss modulus (G″). Our study advances the current understanding of drop evaporation on soft substrates that may find potential applications involving soft composites, biological entities, tissue engineering, and wearable electronics.

Correlation between induced polarization and sulfide content of rock samples obtained from seafloor hydrothermal mounds in the Okinawa Trough, Japan

AbstractThe physical properties of seafloor massive sulfides are crucial for interpreting sub-seafloor images from geophysical surveys, shedding light on the evolution of seafloor mineral deposits. While some studies have explored the relationship between electrical properties and the volume of conductive minerals in rocks from seafloor massive sulfide deposits, they primarily focused on artificial samples, leaving the characteristics of natural samples less understood. Moreover, there has been no comprehensive study detailing the general characteristics of electrical properties, particularly chargeability and relaxation time, in relation to the volumetric fraction of sulfides in rocks from massive sulfide mounds in typical hydrothermal areas. In this study, we employed complex conductivity measurements, elemental concentration analysis, and mineral content identification on to rock samples from the active hydrothermal zones of the Okinawa Trough in Japan. The complex conductivity observed was remarkably high, with a pronounced imaginary component and a broad frequency range. This is attributed to induced polarization extending beyond our measurement range. The rock samples were rich in conductive sulfide minerals such as pyrite, chalcopyrite, and galena. Using the Cole–Cole rock physics model, we established a correlation between rock chargeability and relaxation time coefficient with the volume fraction of conductive sulfide minerals, which deviated from previous findings. The intensity of induced polarization was notably higher than anticipated in earlier studies using artificial samples. Furthermore, we observed a distinct positive correlation between the coefficient of relaxation time and the increase in sulfide volume, likely due to the geometric characteristics of the sulfide minerals. Our findings suggest that rocks in massive sulfide mounds may generally construct sulfide clusters that lengthen the conductive path of the electrical carrier. Graphical Abstract

One-step Solid-State Synthesis of V1.13Se2/V2O3 Heterostructure as a High Pseudocapacitance Anode for Fast-Charging Sodium-Ion Batteries.

Sodium-ion batteries (SIBs) offer several benefits, including cost-efficiency and fast-charging characteristics, positioning them as attractive substitutes for lithium-ion batteries in energy storage applications. However, the inferior capacity and cycling stability of electrodes in SIBs necessitate further enhancement due to sluggish reaction kinetics. In this respect, the utilization of heterostructures, which can provide an inherent electric field and abundant active sites on the surface, has emerged as a promising strategy for augmenting the cycling stability and rate features of the electrodes. This work delves into the utilization of V1.13Se2/V2O3 heterostructure materials as anodes, initially fabricated via a simplified one-step solid-state sintering technique. The high pseudocapacitance and low characteristic relaxation time constant give the V1.13Se2/V2O3 heterostructure impressive properties, such as a high capacity of 328.5 mAh g-1 even after 1500 cycles at a high current density of 2 A g-1 and rate capability of 278.9 mAh g-1 at 5 A g-1. Moreover, the assembled sodium-ion full battery delivers a capacity of 118.5 mAh g-1 after 1000 cycles at 1 A g-1. These findings provide novel insight and guidance for the rapid synthesis of heterojunction materials and the advancement of SIBs.

Dynamic‐Bond‐Mediated Chain Reptation Enhances Energy Dissipation of Elastomers

AbstractVibrations with various frequencies in daily life and industry can cause health hazards and fatigue failure of critical structures, which requires the development of elastomers with high energy dissipation at desired frequencies. Current strategies relying on tuning characteristic relaxation time of polymer chains are mostly qualitative empirical methods, and it is difficult to precisely control damping performances. Here, we report a general strategy for constructing dynamic crosslinked polymer fluid gels that provide controllable ultrahigh energy dissipation. This is realized by dynamic‐bond‐mediated chain reptation of polymer fluids in a crosslinked network, where the characteristic time of chain reptation is dominated by the presence of well‐defined dissociation time of dynamic bonds and almost independent of their molar mass. Using prototypical supramolecular polydimethylsiloxane elastomers, we demonstrate that dynamic crosslinked polymer fluid gels exhibit a controllable ultrahigh damping performance at desired frequencies (10−2~102 Hz), exceeding that of typical state‐of‐the‐art silicone damping materials. Their shock absorption is over 300 % higher than that of commercial silicone rubber under the same impact force.

Dynamic-Bond-Mediated Chain Reptation Enhances Energy Dissipation of Elastomers.

Vibrations with various frequencies in daily life and industry can cause health hazards and fatigue failure of critical structures, which requires the development of elastomers with high energy dissipation at desired frequencies. Current strategies relying on tuning characteristic relaxation time of polymer chains are mostly qualitative empirical methods, and it is difficult to precisely control damping performances. Here, we report a general strategy for constructing dynamic crosslinked polymer fluid gels that provide controllable ultrahigh energy dissipation. This is realized by dynamic-bond-mediated chain reptation of polymer fluids in a crosslinked network, where the characteristic time of chain reptation is dominated by the presence of well-defined dissociation time of dynamic bonds and almost independent of their molar mass. Using prototypical supramolecular polydimethylsiloxane elastomers, we demonstrate that dynamic crosslinked polymer fluid gels exhibit a controllable ultrahigh damping performance at desired frequencies (10-2~102 Hz), exceeding that of typical state-of-the-art silicone damping materials. Their shock absorption is over 300 % higher than that of commercial silicone rubber under the same impact force.

Network homogeneity on linear and nonlinear viscoelasticity of polyethylene terephthalate vitrimers

Designing network topology with tunable dynamics and rheology behaviors is the key for vitrimers applications. In this study, PET vitrimers with varying crosslinking density and network homogeneity were created by using different Mw of precursors and branching agents (catalysts). Our results show that the dynamic network formed by propane-type branching agent such as 1,3-bis[tris(hydroxymethyl) methylamino] propane (BIS-TRIS propane), is more uniform due to steric hindrance effect compared to 2,2-Bis(hydroxymethyl)-2,2′,2″-nitrilotriethanol (BIS-TRIS). The thermal behavior of PET vitrimers was investigated by non-isothermal experiments, including glass transition and crystallization process. In particular, rheology behavior is sensitive to network structure and bond exchange process. The linear viscoelasticity (LVE) region of PET vitrimers is characterized by constructed pseudo-master curves that are guided by two distinct relaxation mechanisms: Rouse-type relaxation of strands and terminal relaxation of the network. Each relaxation mechanism is associated with a unique activation energy. The mechanical and processing properties of the PET vitrimers are reflected in their plateau modulus and characteristic relaxation time, which varies depending on the network topology. Based on the LVE analysis, we further investigated nonlinear rheology of PET vitrimers under extensional flow. Our results indicate that PET vitrimers exhibit significant strain hardening behavior, but display distinct stretching trends, corresponding to polymer melts' ductility. The ductility of materials decreases with a decrease in precursor's molecular weight (Mw), but improved with enhanced network homogeneity. Therefore, the crosslinking density and network homogeneity of dynamic network can be selectively tailored using appropriate precursors and branching agents to meet various industrial applications.

Molecular Dynamics Simulation of Thermal Nonequilibrium and Chemical Reaction Processes in Hydrogen Combustion.

Using reactive force field (ReaxFF) and molecular dynamics simulation, we investigate the combustion process of hydrogen-oxygen systems in initial thermal nonequilibrium states with different translational and rovibrational temperatures for oxygen. The system studied in this work contains 300 oxygen molecules and 700 hydrogen molecules with a density of 7 times the air density. For this system, the characteristic relaxation times of oxygen and hydrogen vibrational energies are 0.173 and 0.249 ns, respectively. 0.6% of hydrogen undergoes a chemical reaction with oxygen during the thermal nonequilibrium relaxation stage. For the distribution of translational energy and vibrational energy of oxygen in the thermal nonequilibrium state, the maximum mean error of the statistical distribution in the simulation and the Boltzmann distribution at temperature calculated from the average kinetic energy of molecules is about 2.25 × 10-5. At the same time, it was observed in the simulation that many-body interactions play a certain role in the combustion process. Furthermore, we compare the ignition time and temperature rise behavior of different combustion mechanisms and molecular dynamics simulations starting from the thermal equilibrium state. These results will provide meaningful references for the construction of thermal nonequilibrium combustion chemical reaction mechanisms.

Reversible adhesives from epoxy-based transesterification-induced vitrimers

Vitrimers are a class of materials that combine the excellent mechanical performance of thermosetting polymers with the malleability of thermoplastic polymers. One of the applications that most benefits from these features is structural adhesives. In this work, epoxy-based vitrimers from diglycidyl ether of bisphenol A, succinic anhydride, and trimethylolpropane are used as reversible adhesives. These materials show glass transition temperatures up to 80 °C as well as a homogeneous network structure. They also show high lap-shear stress values of up to 26 MPa. These adhesives are suitable for reversible adhesion thanks to their excellent vitrimeric behavior, with characteristic relaxation times that are under 10 min at 180 °C. This allows for the re-utilization of the same joint through re-adhesion after failure, the dismantling of adhesive joints with posterior re-bonding, and the application of the adhesive as a coating to make the joint in a different stage. The re-adhesion reaches values up to 96% with respect to the values of the first adhesion. Finally, chemical recycling is achieved through alcoholysis in ethyleneglycol, and this methodology is used to remove adhesive remains from adherend plates, so that they can be used for any other purpose. In summary, these vitrimer adhesives not only show high adhesion shear stress, suitable for structural applications, but also allow re-joining the bond in case of failure, the dismantling of the joint at the end of the bond lifetime, thermally activate the adhesive joint, and recover the adherends to be used for another purpose.