Dispersion Terms Research Articles

Water Potential from Adaptive Force Matching for Ice and Liquid with Revised Dispersion Predicts Supercooled Liquid Anomalies in Good Agreement with Two Independent Experimental Fits.

A revised version of the Water potential from Adaptive force matching for Ice and Liquid (WAIL) was developed by using the previous data set for fitting the WAIL model but with a dispersion term calculated using symmetry adapted perturbation theory (SAPT). The model has no adjustable parameters and relies solely on fitting first-principles information. The new model, named revised WAIL (rWAIL), shows improved predictions of most properties of water when compared to the previously published WAIL model. The rWAIL model also compares favorably to other first-principles-derived water models, such as MB-Pol, at only a fraction of the computational cost. The rWAIL model is used to study the properties of supercooled water. The model shows evidence of a liquid-liquid phase transition (LLPT) in the supercooled regimes with the liquid-liquid critical point (LLCP) at 203 K and 90 MPa. This estimate is in good agreement with a recent polynomial fit to the experimental density of water. Also, the fit to the surface tension of supercooled water based on the rWAIL model shows excellent agreement with the corresponding fit to the experimental data. Consistent with previously published molecular dynamics and experimental data, the surface tension of water exhibits exponential growth in the supercooled regime, which is likely a result of the emergence of a low-density liquid form of water. The simulation thus unites two separate experimental fits with one first-principles-based model, lending strong evidence of an LLPT in real water.

Soliton solutions of the improved perturbed nonlinear Schrödinger equation having parabolic law with non-local nonlinearity in the presence of chromatic and spatio-temporal dispersion terms

This paper was organized to examine the analytical solutions of the improved perturbed parabolic-law nonlinear Schrodinger equation including non-local nonlinearity in the presence of chromatic and spatio-temporal dispersion. This model mostly makes use of studying the propagation of optical pulses in fiber optic communication systems. We performed the Sinh-Gordon equation expansion method so that we produce the analytical solutions of the model under consideration. It was confirmed that the acquired solutions satisfy the main model. Therefore, bright and dark soliton solutions were retrieved; besides, various 3D and 2D graphical illustrations of the solitons were demonstrated via appropriate values of the parameters. Furthermore, this manuscript focused on the parameters’ effect on the acquired solitons behavior.

Multidimensional Q‐compensated reverse time migration using a high‐efficient decoupled viscoacoustic wave equation

AbstractSeismic waves propagating through attenuating media induce amplitude loss and phase dispersion. Neglecting the attenuation effects during seismic processing results in the imaging profiles with weakened energy, mispositioned interfaces and reduced resolution. To obtain high‐quality imaging results, Q‐compensated reverse time migration is developed. The kernel of the Q‐compensated reverse time migration algorithm is a viscoacoustic wave equation with decoupled amplitude loss and phase dispersion terms. However, the majority of current decoupled viscoacoustic wave equations are solved using the computationally expensive pseudo‐spectral method. To enhance computational efficiency, we initiate our approach from the dispersion relation of a single standard linear solid model. Subsequently, we derive a novel decoupled viscoacoustic wave equation by separating the amplitude loss and phase dispersion terms, previously coupled in the memory variable. The newly derived decoupled viscoacoustic wave equation can be efficiently solved using the finite‐difference method. Then, we reverse the sign of the amplitude loss term of the newly derived viscoacoustic wave equation to implement high‐efficient Q‐compensated reverse time migration based on the finite‐difference method. In addition, we design a regularization term to suppress the high‐frequency noise for stabilizing the wavefield extrapolation. Forward modelling tests validate the decoupled amplitude loss and phase dispersion characteristics of the newly derived viscoacoustic wave equation. Numerical examples in both two‐dimensional and three‐dimensional confirm the effectiveness of the Q‐compensated reverse time migration based on the finite‐difference algorithm in mitigating the attenuation effects in subsurface media and providing high‐quality imaging results.

Evaporation from a cylindrical cavity: effect of gravity on the vapour cloud

We examine the vapour cloud of a pure liquid evaporating from a millimetric cylindrical well/cavity/aperture. This is accomplished by injecting the liquid up a vertical pipe towards its outlet onto a horizontal substrate. The injection is halted before the liquid surpasses the substrate level. The resulting final state is a meniscus at or near the pipe's end. The analysis is realised by vapour interferometry (side view over the substrate) closely intertwined with simulations (including Stefan flow), which also help to fill up certain gaps in the measurements and provide computed evaporation rates. Comparison with experiment is facilitated by converting the computed vapour clouds into interferometric images, especially helpful when an inverse (Abel-type) conversion is difficult. Experiments are conducted in both microgravity (via parabolic flights) and ground conditions, thus enabling direct assessment of the role of gravity. The contrast is accentuated by a working liquid with heavy vapour (refrigerant HFE-7100), when instead of being flattened on ground the vapour cloud assumes a roughly hemispherical shape in microgravity. Furthermore, a non-trivial vapour-cloud response to the flight ${\rm g}$ -jitter (residual gravity oscillations) is unveiled, ${\rm g}$ -jitter vibrations posing a challenge for interferometry itself. A number of undesired but curious side issues are revealed. One concerns vapour formed deep inside the pipe during rapid injection and subsequently ejected into the field of view, which is detected experimentally and quantified in terms of vapour Taylor dispersion in the pipe. Others are an injection volume anomaly and parasitic postinjection specifically observed in microgravity conditions.

Biostratigraphy of the Eocene shallow-water succession of the south Sabzevar area (Central Iran) based on larger benthic foraminifera and calcareous nannofossils

A rich larger foraminifera assemblage from the Eocene carbonates of the south Sabzevar region (Now-Deh section) in central Iran indicates a late Ypresian to early Lutetian age. Nine species of Alveolina d’Orbigny are studied for systematics and biostratigraphy. The assemblage includes A. minuta, A. decastroi, A. cremae, A. cremae elongata, A. decipiens ayrancensis, A. celali, A. rugosa, A. cuspidata, A. frumentiformis. We have also found nummulitids (genus Nummulites and Assilina) and orthophragmines identified as N. campesinus, N. praediscorbinus, A. placentula, A. praespira, A. reicheli, A. ex. intrec. laxispira-maior and Discocyclina archiaci bartholomei. The recovery of Alveolina cremae elongata, A. decipiens ayrancensis, A. celali, A. rugosa, A. cuspidata and Assilina praespira has permitted for the first time to extend their geographical distribution outside of the classical peri-Mediterranean area to the central Tethys regions. The obtained biostratigraphy points to the Shallow Benthic Zones SBZ11 to SBZ13, indicating the occurrence of a Lower–Middle Eocene carbonate system. Part of the age model is supported by the calcareous nannofossil biostratigraphy that belong to the NP14b and CNE8 biozones, recorded from the central portion of the studied section. Issues regarding the application of the SBZ into the Middle East domains are discussed in terms of relative stratigraphic position and biogeographic dispersal of some significant Alveolina species.

Modulated dust-ion-acoustic waves result from Earth's magnetosphere and lunar ionosphere interactions

The Earth's magnetosphere's modulational amplitude dust-ion-acoustic waves are studied. When the moon passes through the Earth's magnetotail, its dust grains may interact, causing these waves. The theoretical plasma model for this study includes positive ionospheric ion fluids, isothermal electrons, and fluid-negative dust grains on the moon. A perturbation technique derived the nonlinear Schrödinger equation, which exhibited dispersion and nonlinear effects. The nonlinear and dispersion term coefficients' polarity may predict stable and unstable pulse domains. A numerical study was performed to identify unstable pulse domains and their connections with bright and rogue unstable modes. The effects of critical plasma conditions on these pulses' basic features have been studied. This study showed that increasing the ratio of ions to electrons temperature and density reduces system nonlinearity. Consequently, shorter unstable pulses are formed. Amplification of plasma unstable waves results in an increase in their intensity and energy, potentially impacting any device traveling through the area of impact.

The quasi-Gramian solution of a non-commutative extension of the higher-order nonlinear Schrödinger equation

The nonlinear Schrödinger (NLS) equation, which incorporates higher-order dispersive terms, is widely employed in the theoretical analysis of various physical phenomena. In this study, we explore the non-commutative extension of the higher-order NLS equation. We treat real or complex-valued functions, such as g 1 = g 1(x, t) and g 2 = g 2(x, t) as non-commutative, and employ the Lax pair associated with the evolution equation, as in the commutation case. We derive the quasi-Gramian solution of the system by employing a binary Darboux transformation. The soliton solutions are presented explicitly within the framework of quasideterminants. To visually understand the dynamics and solutions in the given example, we also provide simulations illustrating the associated profiles. Moreover, the solution can be used to study the stability of plane waves and to understand the generation of periodic patterns within the context of modulational instability.

Synthesis and properties of AMPS/MA/HEMA terpolymer retarder for oil well cement

Maleic acid (MA), hydroxyethyl methacrylate (HEMA), and 2-acrylamide-2-methylpropane sulfonic acid (AMPS) were used to create the retarder JT-1. FTIR was used to characterize the retarding agent’s structure, XPS, GPC, and TG were used to determine the polymer’s elemental composition and molecular weight, and TG was used to determine the polymer’s thermal stability. The results show that the molecule contains the desired functional groups, that the temperature at which pyrolysis began was 276 °C, and that performance stability occurred at 130 °C. The thickening curve does not exhibit a “bulge” or “step” phenomena, and the thickening time complies with high temperature pumping safety standards. Additionally, it can guarantee the development of cement’s compressive strength at low temperatures, has great temperature adaptability, and works well with the G33S water loss reducer in terms of compatibility and dispersion. The retarder molecules were found to create a layer of adsorption with a specific thickness on the surface of cement particles. This layer resulted in a reduction in the concentration of Ca2+ in the solution through complexation. As a consequence, the hydration process of the cement was delayed, leading to an extended thickening time. These results were attained by using X-ray diffraction (XRD) and scanning electron microscopy (SEM) techniques in the research that was done.

Mixing temperature optimization and modification mechanism of medical masks modified asphalt: Insights from computational chemistry

Masks modified asphalt (MMA) offers a solution to pollution caused by discarded medical masks. Mixing temperature plays a crucial role in storage stability and even rheological performance of MMA. Traditional selection method overly relies on trial-and-error experiment, neglecting the convenience offered by computational chemistry. Furthermore, previous literature lacks precise elucidation of MMA’s physical modification mechanism, especially concerning the binding mode and energy composition. To address these issues, the optimal mixing temperature for MMA was recommended based on molecular dynamics. The rationality of recommended temperature was validated through laboratory tests, simultaneously investigating the impact of heating time. Fluorescence microscopy and multi-band spectroscopy were employed to acquire the microstructure. Binding modes in MMA were determined using binding sites exploration, evaluating the energy composition of each binding mode through quantum chemistry. The interaction mechanism was explained based on surface properties of isolated molecules. Results indicated that 170℃ was the recommended optimal mixing temperature derived from mixing free energy and Flory-Huggins interaction parameter. The fluctuations in softening point difference (ΔTR&B) and separation ratio (RS) concurrently tended towards stability, thereby validating the reliability of recommended temperature. Moreover, even after 72 h heating, MMA prepared at recommended temperature remained within a reasonable range concerning ΔTR&B, RS, and microscopic structure. Perpendicular, parallel, toroidal, and spherical modes emerged in MMA. Perpendicular and parallel modes exhibited the highest binding energies, while circular mode demonstrated the lowest. Binding energy is primarily governed by van der Waals interaction, attributed to the dominance of dispersion term on MMA’s molecular surface. Besides, due to the presence of polycyclic aromatic hydrocarbons in asphalt molecules, electrostatic interaction contributed to specific molecular bindings.

Stochastic higher-order Lakshmanan–Porsezian–Daniel model with cubic-quintic law nonlinearities in the presence of spatio-temporal and chromatic dispersion terms

This work focuses on deriving optical soliton solutions for the stochastic variant of the higher-order Lakshmanan–Porsezian–Daniel (LPD) model, which incorporates cubic-quintic law nonlinearities alongside chromatic and spatio-temporal dispersion terms. The primary approach chosen for this purpose is the new Kudryashov method (nKM). Initially, bright and dark soliton solutions are derived. The stability of these dark and bright solitons is then verified using the Vakhitov–Kolokolov criterion. Subsequently, the impact of the stochastic term on the bright and dark solitons is examined. As an additional aspect, an investigation has been conducted on the effects of the model parameters, namely, group velocity dispersion and spatio-temporal dispersion terms.

Volume average of two-fluid RANS equations and a priori estimation of subgrid terms on subcooled boiling experiments

A statistic-volume averaged two-fluid model, convenient for subchannel and system codes in nuclear industry, is established from RANS equations of Neptune_CFD code and leads to the appearance of subgrid terms. A database of simulations is made on experiments with flow representative of nuclear reactor cores with cylindrical (KIT) and subchannel (PSBT) configurations. The subgrid terms are then compared to the convection terms on the database of 82 test cases. Concerning momentum and energy equations, subgrid terms reach respectively 7.5% and 16% of convection terms. Overall, the comparison shows that dispersion terms are always greater than turbulence terms, but both remain in the same order of magnitude, and are not negligible compared to convection. Moreover, the geometry has an impact on the dispersion terms. This observation suggests that caution should be exercised when using correlation established on a different geometry.

Encapsulation of tuna oil by liquid and solid self‐emulsifying delivery system: in vitro digestion and oxidative stability assessment

SummaryTuna oil, one of the main sources of omega‐3 polyunsaturated fatty acids (omega‐3 or n‐3 PUFAs), is known to have limited bioavailability due to its hydrophobicity. Moreover, the main n‐3 PUFAs found in tuna oil, that is docosahexaenoic acid (DHA) and eicosapentaenoic acid (EPA) are prone to oxidation. To overcome these drawbacks, tuna oil encapsulation via liquid (LSEDS) and solid self‐emulsifying delivery system (SSEDS) was developed. Different LSEDS formulations were prepared and evaluated in terms of tuna oil droplet size and dispersibility. Accordingly, the formulation with small droplets size and narrow size distribution was selected and further developed into SSEDS by spray drying process. SSEDS was thereafter characterised concerning production yield, moisture content, size, size distribution and morphology. Furthermore, the in vitro simulated gastrointestinal model of LSEDS and SSEDS was carried out. The results showed that after intestinal digestion stage, 87% and 72% of DHA were released from LSEDS and SSEDS, respectively. Therefore, these formulations of LSEDS and SSEDS were proven their ability to enhance the bioaccessibility of DHA. Moreover, the oxidative stability of LSEDS and SSEDS formulation was investigated and compared to pure tuna oil using non‐isothermal differential scanning calorimetry (DSC) analysis under oxygen. The results showed that both LSEDS and SSEDS formulations exhibited a high oxidative resistance with a higher energy needed to induce tuna oil oxidation than pure tuna oil. The chemical and thermal stability given by LSEDS and SSEDS may be efficiently applied in food area to enhance the techno‐functional properties of hydrophobic compounds.

Necessary conditions for convex-periodic, elliptic-periodic, inclined-periodic, and rogue wave-solutions to exist for the multi-dispersions Schrodinger equation

In this study, we revisit the modified Schrödinger equation, which incorporates multiple dispersion terms, including linear, nonlinear, and random dispersion. We establish the essential constraints on the model’s parameters to ensure the presence of complex-valued solutions. Subsequently, we employ effective and explicit techniques such as the extended tanh-coth expansion, rational sine-cosine functions, and rational sinh-cosh functions to derive innovative types of periodic solutions for the proposed model. These solutions demonstrate unique physical properties applicable to various complex media, such as surface water waves, optical fiber pulses, and plasma waves.

Phase to intensity modulation and fading compensation using a single ring resonator for radio-over-fiber links.

In this study, we present a simulation-based analysis of radio-over-fiber (ROF) transmission links incorporating both phase modulation (PM) and a single ring resonator (RR) as the modulation transformer (MT). This configuration offers cost-effectiveness, enhanced operational stability, facile reconfiguration, and heightened robustness. The optimization of the RR involves a comprehensive adjustment of the power coupler coupling coefficient (k) and the roundtrip optical phase shift (φ) to attain superior characteristics in terms of power output, bandwidth, dispersion, and nonlinearity, individually. The simulation encompasses the transmission of diverse data formats, including QPSK, 16QAM, and 16QAM-based OFDM, modulated by the PM-RR system. The results reveal a 0.25 dB improvement in nonlinearity tolerance, increased power, and superior fading mitigation compared to the conventional intensity modulation (IM) approach. Furthermore, through careful tuning of the phase response, the Q factor of the PM-RR system exhibits an enhancement exceeding 40% over a 100 km fiber length when compared to the Mach-Zehnder modulator (MZM) system.

Fourier transform-based method for quantifying the three-dimensional orientation distribution of fibrous units

Several materials and tissues are characterized by a microstructure composed of fibrous units embedded in a ground matrix. In this paper, a novel three-dimensional (3D) Fourier transform-based method for quantifying the distribution of fiber orientations is presented. The method allows for an accurate identification of individual fiber families, their in-plane and out-of-plane dispersion, and showed fast computation times. We validated the method using artificially generated 3D images, in terms of fiber dispersion by considering the error between the standard deviation of the reconstructed and the prescribed distributions of the artificial fibers. In addition, we considered the measured mean orientation angles of the fibers and validated the robustness using a measure of fiber density. Finally, the method is employed to reconstruct a full 3D view of the distribution of collagen fiber orientations based on in vitro second harmonic generation microscopy of collagen fibers in human and mouse skin. The dispersion parameters of the reconstructed fiber network can be used to inform mechanical models of soft fiber-reinforced materials and biological tissues that account for non-symmetrical fiber dispersion.

Intermodal effective phase matching for second harmonic generation of ultrashort pulses in high index contrast optical fibers

Second harmonic generation (SHG) in glass optical fibers calls for creating a second order susceptibility in the fiber glass and for achieving phase matching between the pump and the second harmonic signal. The latter is very challenging when using ultrashort pulses, given that the group velocities of the pump and the second harmonic should also be matched. We have shown in previous work that it is possible to achieve simultaneous modal phase matching (MPM) and group velocity matching (GVM) when the pump and the second harmonic are propagating in the LP01 and LP02 modes, respectively, in high GeO2-content double-clad optical fibers. However, simultaneous MPM and GVM can only be obtained in optical fibers with dedicated designs and within very tight geometrical tolerances. In this paper, we show that instead of considering the matching of phase and group velocities separately, we can consider a more general or “effective” phase matching approach, in which we consider all the dispersion terms up to the second order in the expressions of the propagation constants of the pump and second harmonic signals. This allows introducing the pulse duration as a controllable parameter that helps to enforce the said effective phase matching in fibers with designs that deviate by as much as 10% from the target, while providing for temporal walk-off lengths in excess of several centimeters. The impact of this finding goes beyond SHG only and can be applied to other ultrashort laser pulse-based nonlinear optical processes in fibers and waveguides.

Estimation of water balance components by Noah-MP land surface model for the Neyshaboor watershed, Khorasan Razavi, Iran

The numerical modeling of the land surface can make up for the insufficient station data in terms of number, dispersion, and temporal continuity. In this research, to evaluate the Noah-MP land surface model, the water balance components were estimated in the Neyshaboor watershed in the monthly time step during 2000–2009. Model input data were obtained from the global land data assimilation system version 1 (GLDAS-1), and the SWAT (soil and water assessment tool, a semi-distributed for small watershed to river basin-scale model) model output was used for the evaluation of the Noah-MP model. In this study, the ability of the Noah-MP model in simulating vegetation dynamically was studied. The precipitation was corrected before running the model for a more reliable evaluation. The time between 2000 and 2001 was considered a spin-up period and 2002–2009 for calibration and validation. The model has the best simulation in the mountainous areas; the runoff simulated by the Noah-MP model is in good agreement with the modeled runoff by SWAT in these areas. (R2 = 0.78, NSE = 0.62, RMSE = 1.98 m3/s). The R2 for simulated soil moisture for soil layers (0–10, 10–40 cm) was 0.62 and 0.57, and RMSE was 0.059 (m3/m3) and 0.052 (m3/m3), respectively, in Motamedieh field. The annual amount of evapotranspiration estimated by the two models is comparable to the average annual evapotranspiration in the watershed (about 300 mm). Based on the results from the research, the model has well simulated: the runoff in the mountainous areas, the moisture in the upper layer of the soil, and the average annual evapotranspiration in the study area.

Intensification of multiphase systems with a jet‐loop reactor: characterization of mass transfer, mixing time, drop oil size, and biomass growth

AbstractBACKGROUNDThe development of processes for transforming vegetable oils into useful products has received increasing attention in the biotechnological field. The reactor used for this purpose should meet adequate mass transfer, mixing, and oil dispersion conditions. In this work, comprehensive research into the use of a jet‐loop reactor as a potential alternative to airlift and stirred tank reactors was conducted in the presence of avocado oil in a water‐air system. Additionally, the assessment of the jet‐loop for biomass growth in the presence of oil was performed.RESULTSThe increase of avocado oil from 1% to 5% v/v resulted in a reduction in the performance of the three reactors. Despite the airlift reactor having the lowest power input, it exhibited the worst performance in terms of mass transfer, mixing, and oil dispersion. The estimation of the energetic oxygen transfer efficiency (Kg O2 KW−1 h−1) allowed the determination that the jet‐loop reactor was superior to the stirred tank. This superiority was attributed to the low values of the mixing time and oil droplet diameter observed in the jet‐loop reactor. Finally, all these parameters had a positive impact on the growth of Wautersia eutropha in the jet‐loop reactor compared with the other two reactors.CONCLUSIONThe results showed that the jet‐loop reactor presented superior performance in most cases compared to the stirred tank and airlift reactors. Particularly, the jet‐loop exhibits an interesting potential to reduce the size of the avocado oil droplets, which could lead to a significative increase in the growth rate of Wautersia eutropha. © 2023 Society of Chemical Industry (SCI).

Epoxy lignin-modified tetraethylenepentamethylene-CO2 halogen-free blown rigid polyurethane foam

A new halogen-free blowing agent for rigid polyurethane foam, E-Lig-TEPA-CO2, was synthesized by absorbing CO2 onto tetraethylenepentamine modified with epoxy lignin. The blowing agent was modified with lignin, which introduced hydrophobic groups such as benzene rings, carbon chains, and aromatic ethers. This modification enhanced its oil affinity and compatibility in the polyol mixture. Surface tension testing showed that the surface tension of the lignin-modified blowing agent decreased from 36 to 24 mN/m. Observations through Olympus microscopy revealed that the lignin-modified blowing agent was better dispersed in the polyol mixture, with fewer air bubbles and improved compatibility. Additionally, the main raw material used for this blowing agent was low molecular weight tetraethylenepentamine, resulting in a liquid-state blowing agent. This liquid-state blowing agent inherently possessed advantages in terms of dispersibility and compatibility compared to solid-state blowing agents. Finally, self-made lignin phosphate (P-Lig), expandable graphite (EG), and dimethyl methyl phosphonate (DMMP) were added as halogen-free flame retardants. Lignin-bio-based polyol was used as partial polyol. A new type of bio-based and halogen-free blown flame-retardant rigid polyurethane foam was prepared. The resulting foam demonstrated small and evenly distributed cell structures, as well as good compression strength (224 kPa) and thermal conductivity (0.029 W/(m·k)). The limiting oxygen index of foam increased to 30.6%, reached the V-0 level during the vertical burning process, the peak heat release rate decreased to 196 Kw/m2, and high-temperature thermal stability in thermogravimetric was enhanced.

Numerical Calculations for Curved Open Channel Flows with Advanced Depth-Integrated Models

This paper examines the effect of coupling several equations for vertical velocity profiles in a depth-integrated model to clarify the roles of three-dimensional flow structures minimizing the errors from the two-dimensional calculation model. In addition, this paper develops a numerical discretization method for the dispersion terms in the horizontal momentum equations. It is revealed that the use of the 2DC model underestimates the water surface elevation through the comparisons with the experimental datasets, advanced 2DC and 3DC results. The prediction of water surface elevation is considerably improved by taking into account of secondary flow effect with vorticity equations. It is clarified that the accuracy in predicting the water surface elevation is increased with increasing the degree of the function for vertical velocity profiles in advanced 2DC models or the number of vertical grids in 3DC model, while non-hydrostatic pressure and variation in vertical velocity have a second importance.