Solid-liquid Phase Transition Research Articles

A high-performance aqueous Eu/Ce redox flow battery for large-scale energy storage application

We report the performance of an all-rare earth redox flow battery with Eu2+/Eu3+ as anolyte and Ce3+/Ce4+ as catholyte for the first time, which can be used for large-scale energy storage application. The cell reaction of Eu/Ce flow battery gives a standard voltage of 1.90 V, which is about 1.5 times that of the all-vanadium flow battery (1.26 V). Large standard voltage is conducive to the improvement of battery energy density and power density. The Eu2+/Eu3+electrode reaction in a NaCl solution on platinum electrode was investigated detailedly using cyclic voltammetry, linear sweep voltammetry, tafel plot and chronoamperometry. Unlike zinc-cerium flow battery, the active species of Eu/Ce flow battery are always present in the electrolyte, and no liquid-solid phase transition occurs. Thus, Eu/Ce flow battery is free of the problems associated with dendrite growth and theoretically have a longer cycle lifetime. The negative electrolyte is very sensitive to oxygen and can directly cause battery failure if exposed to air. The average energy efficiency of Eu/Ce flow battery exposed to air is only 22.0 %. However, the average energy efficiency of Eu/Ce flow battery stripped of oxygen reaches 82.7 % at 25 mA/cm2. Preliminary experimental studies have shown that Eu/Ce flow batteries are a promising method for large-scale energy storage.

Harnessing Liquid Metals with In Situ Polymerized Electrolyte for Anode‐Free Lithium Metal Batteries

AbstractTo enhance safety and energy density in conventional Li‐ion batteries, anode‐free or zero‐lithium configurations using only a current collector (CC) in the anode have emerged. However, challenges including rapid Li dendrite growth, low Coulombic efficiency, safety concerns, and thickness issues hinder the practical use of anode‐free batteries (AFBs) with liquid electrolytes (LEs) or solid electrolytes (SEs). Herein, potential AFBs using an anode current collector coated with a liquid metal (LM)@C nanocomposite with an in situ polymerized electrolyte (PE) are reported. Interestingly, LM nanoparticles added to the composite layer on CC play a crucial role in promoting uniform Li plating/stripping behavior through a self‐healing mechanism, along with reversible liquid–solid–liquid phase transitions caused by alloying and de‐alloying of Li and LMs. Furthermore, incorporating in situ polymerized electrolytes stabilizes LMs by preventing the agglomeration of LM nanoparticles, resulting in significantly improved cell performance compared to other conventional LEs. A systematical model study with ex situ analysis unveils the synergetic effects between LMs and PE, along with elucidating the mechanism of in situ polymerization and Li‐LMs reactions. The investigation contributes valuable insights for future studies on practical applications of AFBs using polymer electrolytes and composite interlayers.

Ultrasensitive Ratiometric Fluorescent Nanothermometer with Reverse Signal Changes for Intracellular Temperature Mapping.

Sensing temperature at the subcellular level is pivotal for gaining essential thermal insights into diverse biological processes. However, achieving sensitive and accurate sensing of the intracellular temperature remains a challenge. Herein, we develop a ratiometric organic fluorescent nanothermometer with reverse signal changes for the ultrasensitive mapping of intracellular temperature. The nanothermometer is fabricated from a binary mixture of saturated fatty acids with a noneutectic composition, a red-emissive aggregation-caused quenching luminogen, and a green-emissive aggregation-induced emission luminogen using a modified nanoprecipitation method. Different from the eutectic mixture with a single phase-transition point, the noneutectic mixture possesses two solid-liquid phase transitions, which not only allows for reversible regulation of the aggregation states of the encapsulated luminogens but also effectively broadens the temperature sensing range (25-48 °C) across the physiological temperature range. Remarkably, the nanothermometer exhibits reverse and sensitive signal changes, demonstrating maximum relative thermal sensitivities of up to 63.66% °C-1 in aqueous systems and 44.01% °C-1 in the intracellular environment, respectively. Taking advantage of these outstanding thermometric performances, the nanothermometer is further employed to intracellularly monitor minute temperature variations upon chemical stimulation. This study provides a powerful tool for the exploration of dynamic cellular thermal activities, holding great promise in unveiling intricate physiological processes.

Colossal Barocaloric Effect near Ambient Temperature in 1-Dodecanol under a Low Pressure.

Solid-state refrigeration based on the barocaloric effect is an effective alternative to traditional vapor compression refrigeration. Here 1-dodecanol has been studied due to its large latent heat at a solid-liquid phase transition point around room temperature. The transition temperature will vary with the applied hydrostatic pressure, exhibiting with a sensitivity of 0.14 K MPa-1, which indicates its potential for refrigeration. A pressure of 40 MPa can result in a large isothermal entropy change of 520 J kg-1 K-1 (equivalent to that obtained in vapor compression refrigeration) at 297 K. A large adiabatic temperature change of >20 K in 1-dodecanol was acquired by direct measurement. A wide temperature window of ∼50 K (288-337 K) can be obtained in 1-dodecanol, which demonstrates broad application prospects. These discoveries offer promising prospects for barocaloric cooling and high-efficiency refrigeration technologies relying on solid-liquid phase transitions.

Hydration and deliquescence behavior of calcium chloride hydrates

The phase transitions of calcium chloride between various hydrates and solid–liquid phase transitions are common in many natural and industrial processes. Recent studies have revealed some discrepancies in investigating the hydration and deliquescence of calcium chloride using different methods. In this study, water vapor sorption analysis and Raman measurements on CaCl2·2H2O and CaCl2·6H2O and their dehydration products were conducted. The results indicate two possible hydration sequences from lower hydrates to deliquescence at 298.15 K: (1) Hydration of the monohydrate to the dihydrate, followed by the formation of β-CaCl2·4H2O, ending with its deliquescence at 18.5 % RH; (2) Hydration of the monohydrate to the dihydrate, followed by the formation of α-CaCl2·4H2O and of the hexahydrate, ending with its deliquescence at 29 % RH. It was observed that the transition from pure dihydrate to β-CaCl2·4H2O occurs spontaneously, instead of hydration to the thermodynamically stable α-CaCl2·4H2O. The latter phase is only formed in the presence of crystal seeds of α-CaCl2·4H2O that remained after dehydration. Additionally, direct deliquescence of β-CaCl2·4H2O and thus absence of hydration to hexahydrate at 298.15 K is reported for the first time, which could be explained by the more similar lattice structure of CaCl2·2H2O (orthorhombic) and β-CaCl2·4H2O (monoclinic) than α-CaCl2·4H2O (triclinic). Apart from that, an explanation for the observed transformation sequence is proposed, considering the impact of the enhanced solubility of β-CaCl2·4H2O compared to the α-CaCl2·4H2O. The resulting water to salt ratio below six may contribute to the absence of CaCl2·6H2O formation. A Raman spectrum of CaCl2·H2O not reported previously is also provided.

Diagnosis of solid–liquid phase transition using hopping particles in 2D dusty plasmas

Based on the statistical analysis of particles hopping outside the cages formed by their nearest neighboring particles, a new diagnostic of the hopping particle (HP) percentage is proposed to identify the solid–liquid phase transition in two-dimensional (2D) dusty plasmas. To demonstrate the effectiveness of the HP percentage, Langevin dynamical simulations of 2D Yukawa systems under various conditions are performed to mimic 2D dusty plasmas. It is found that the HP percentage exhibits a significant jump while decreasing the coupling parameter around the melting point, just corresponding to the solid–liquid phase transition. As compared with other traditionally used diagnostics, the HP percentage diagnostic is sensitive enough, and the dynamical information is incorporated inside. By comparing to the most widely used diagnostic of the bond-angular order parameter, the melting criterion of this HP percentage diagnostic is determined to be about 30% for the suitable time interval, which is general for the 2D Yukawa systems with different screening parameters.

BF3 Complexing Phosphate/Phosphonate Ionic Liquids: Synthesis, Characterization and Thermophysical Properties.

A new group of BF3 complexing phosphate/phosphonate ionic liquids (ILs) [Emim][X(BF3)2] (X=dimethyl phosphate, diethyl phosphate, methyl phosphonate, and ethyl phosphonate) were synthesized and characterized. Key thermophysical properties of the new complex ionic liquids, including density, viscosity, conductivity, surface tension, solid-liquid phase transition, and thermal stability were determined and compared with those of [Emim][X]. Some other important thermophysical properties such as isobaric thermal expansion coefficient, molecular volume, standard molar entropy, and lattice potential energy were obtained from measured density data, and the free volume was estimated by a linear equation presented in this article, while critical temperature, normal boiling temperature, and enthalpy of vaporization were estimated from measured surface tension and density data. Furthermore, Fragility study shows that [Emim][X(BF3)2] should be considered as fragile liquids, while [Emim][X] could be considered as extremely fragile liquids. The ionicity of [Emim][X(BF3)2] was predicted by Walden rule, and the result shows that these ILs fit well with Walden law. The key features of these complex ILs are their extremely low glass transition (-95.33~-98.46 °C) without melting, considerably low viscosities (33.876~58.117 mPa ⋅ s), and high values of free volume fraction (comparable to [Omim][BF4], [Emim][NTf2], and [Emim][TCB]).

Health is the greatest wealth: Quest for a diagnostic check for thermochemistry of pure drug compounds

The development of pharmaceutical formulations and the optimisation of drug synthesis are not possible without knowledge of thermodynamics. At the same time, the quantity and quality of the available data is not at a level that meets modern requirements. A convenient diagnostic approach is desirable to assess the quality of available experimental thermodynamic data of drugs. A comprehensive set of available data on phase transitions of profens family drugs was analysed using new complementary measurements and structure–property correlations. The consistent sets of solid–gas, liquid–gas and solid–liquid phase transitions were evaluated for twelve active pharmaceutical ingredients based on alkanoic acid derivatives and recommended for the calculations of the pharmaceutical processes. A “centerpiece approach” proposed in this work helped to perform the “health check” of the thermochemical data. The evaluated data on the sublimation enthalpies were used to derive the crystal lattice energies of the profens and to correlate the water solubilities with the sublimation vapour pressures and molecular parameters. A “paper-and-pen” approach proposed in this work can be extended to the diagnosis of “sick” or “healthy” thermodynamic data for drugs with a different structure than those studied in this work.

A combined uncertainty and sensitivity analysis of melting in a cubical cavity, Part A: Model validation

Latent heat thermal energy storage systems exploit the solid–liquid phase transition of a material to store thermal energy almost isothermally with high energy density. Numerical methods are increasingly being used for the targeted design of these storage systems. The problem, however, is that the results obtained with these methods – despite a frequently shown near-perfect agreement between validation experiments and simulation results – are subject to large uncertainty. To illustrate the extent of this problem and to show approaches to solving it, a combined uncertainty and sensitivity analysis of the melting process of a paraffin (octadecane) in a cuboid heated from one side is carried out in this two-paper series. In part A, we present the model and validate it; in part B we use it to carry out the combined uncertainty and sensitivity analysis. The validation of the model is performed with the help of experimental results. For this purpose, we measure the liquid phase fraction, the position of the phase boundary, the velocity field in the liquid and the temperature inside the test capsule. We make sure that the experimental results are reproducible. Systematic deviations are discussed and, if possible, the results are corrected for their value. When measuring the velocity field using particle image velocimetry (PIV), the greatest systematic deviation is due to the inhomogeneous refractive index field in the liquid phase. Finally, it is shown that, in the present case, the influence is very low if constant material properties evaluated at the mean temperature are taken for each phase compared to a temperature-dependent implementation. An exception is the density. If the density change during melting is not taken into account the deviation of the melt fraction lies between 6 and 8%. In summary, the validation of the numerical model is very satisfactory and demonstrates the suitability of the model for performing the investigations of the part B paper.

Effect of Marangoni flow during the solidification of a Fe-0.82wt.%C steel alloy

A two-phase Mixture model is proposed to simulate the liquid-solid phase transition of a Fe-0.82wt%C steel alloy under the effect of Marangoni flow. This model simplifies computations by solving a single momentum and enthalpy equation for the mixture phase using a three-dimensional finite volume method. The simulation involves solidifying a rectangular ingot (100 × 10 × 100 mm3) from the cold bottom surface towards the hot-free surface at the top. To facilitate heat exchange with the surrounding environment, a high heat transfer coefficient of h = 600 W/m2/K was applied on the bottom surface to establish an upward solidification direction. However, a lower heat transfer coefficient of 20 W/m2/K was applied on the top free surface, which was considered flat. This study aims to examine the effect of Marangoni flow generated by surface tension on flow and segregation patterns. The results show that the Marangoni flow emerges at the free surface and penetrates into the liquid depth, leading to the formation of hexagonal patterns along the liquid thickness. Upon full solidification, macro-segregation also exhibits hexagonal structures, mirroring the stationary hexagonal shapes generated by Marangoni flow.

Gallium-Based Liquid Metal Flexible Electronics Prepared by Solid–Liquid Phase Transition

Gallium-Based Liquid Metal Flexible Electronics Prepared by Solid–Liquid Phase Transition

Studies on the Thermal Decomposition Course of Nitrogen-Rich Heterocyclic Esters as Potential Drug Candidates and Evaluation of Their Thermal Stability and Properties.

Drug candidates must undergo thermal evaluation as early as possible in the preclinical phase of drug development because undesirable changes in their structure and physicochemical properties may result in decreased pharmacological activity or enhanced toxicity. Hence, the detailed evaluation of nitrogen-rich heterocyclic esters as potential drug candidates, i.e., imidazolidinoannelated triazinylformic acid ethyl esters 1-3 (where R1 = 4-CH3 or 4-OCH3 or 4-Cl, and R2 = -COOC2H5) and imidazolidinoannelated triazinylacetic acid methyl esters 4-6 (where R1 = 4-CH3 or 4-OCH3 or 4-Cl, and R2 = -CH2COOCH3)-in terms of their melting points, melting enthalpy values, thermal stabilities, pyrolysis, and oxidative decomposition course-has been carried out, using the simultaneous thermal analysis methods (TG/DTG/DSC) coupled with spectroscopic techniques (FTIR and QMS). It was found that the melting process (documented as one sharp peak related to the solid-liquid phase transition) of the investigated esters proceeded without their thermal decomposition. It was confirmed that the melting points of the tested compounds increased in relation to R1 and R2 as follows: 2 (R1 = 4-OCH3; R2 = -COOC2H5) < 6 (R1 = 4-Cl; R2 = -CH2COOCH3) < 5 (R1 = 4-OCH3; R2 = -CH2COOCH3) < 3 (R1 = 4-Cl; R2 = -COOC2H5) < 1 (R1 = 4-CH3; R2 = -COOC2H5) < 4 (R1 = 4-CH3; R2 = -CH2COOCH3). All polynitrogenated heterocyclic esters proved to be thermally stable up to 250 °C in inert and oxidising conditions, although 1-3 were characterised by higher thermal stability compared to 4-6. The results confirmed that both the pyrolysis and the oxidative decomposition of heterocyclic ethyl formates/methyl acetates with para-substitutions at the phenyl moiety proceed according to the radical mechanism. In inert conditions, the pyrolysis process of the studied molecules occurred with the homolytic breaking of the C-C, C-N, and C-O bonds. This led to the emission of alcohol (ethanol in the case of 1-3 or methanol in the case of 4-6), NH3, HCN, HNCO, aldehydes, CO2, CH4, HCl, aromatics, and H2O. In turn, in the presence of air, cleavage of the C-C, C-N, and C-O bonds connected with some oxidation and combustion processes took place. This led to the emission of the corresponding alcohol depending on the analysed class of heterocyclic esters, NH3, HCN, HNCO, aldehydes, N2, NO/NO2, CO, CO2, HCl, aromatics, and H2O. Additionally, after some biological tests, it was proven that all nitrogen-rich heterocyclic esters-as potential drug candidates-are safe for erythrocytes, and some of them are able to protect red blood cells from oxidative stress-induced damage.

Molten Bismuth–Bismuth/Zinc Oxide Composites for High-Temperature Thermal Energy Storage

Thermal energy storage is at the leading edge of various applications, including waste heat recovery, solar storage and zero-energy buildings. Phase change materials (PCMs) can be utilized to store heat through reversible solid–liquid phase transitions. PCMs provide high energy storage capacity at a constant temperature. The volume change during the phase transition, on the other hand, causes inconsistency in crystallization and leakage, increasing the system’s complexity and shortening the lifetime of these materials. These shortcomings can be diminished by impregnation in a porous matrix or encapsulation with an inert shell, resulting in shape-stabilized PCMs that maintain their macroscopic shape during phase change. The synthesis and properties of Bi/ZnO nanocomposites were investigated in order to obtain shape-stabilized phase change materials. All samples consisted of metallic Bi and oxide, doped with 1–3% at. zinc. Heat storage capacities between 31 and 49 Jg−1 were obtained, depending on the mass fraction of the metal. All samples had good thermal reliability, retaining their heat storage properties after 50 consecutive heating–cooling cycles. An average oxide layer thickness of 75–100 nm is sufficient to prevent the molten metal leakage at temperatures above its melting point, resulting in shape-stabilized PCMs.

An aberrant fused in sarcoma liquid droplet of amyotrophic lateral sclerosis pathological variant, R495X, accelerates liquid–solid phase transition

Intracellular aggregation of fused in sarcoma (FUS) is associated with the pathogenesis of familial amyotrophic lateral sclerosis (ALS). Under stress, FUS forms liquid droplets via liquid–liquid phase separation (LLPS). Two types of wild-type FUS LLPS exist in equilibrium: low-pressure LLPS (LP-LLPS) and high-pressure LLPS (HP-LLPS); the former dominates below 2 kbar and the latter over 2 kbar. Although several disease-type FUS variants have been identified, the molecular mechanism underlying accelerated cytoplasmic granule formation in ALS patients remains poorly understood. Herein, we report the reversible formation of the two LLPS states and the irreversible liquid–solid transition, namely droplet aging, of the ALS patient-type FUS variant R495X using fluorescence microscopy and ultraviolet–visible absorption spectroscopy combined with perturbations in pressure and temperature. Liquid-to-solid phase transition was accelerated in the HP-LLPS of R495X than in the wild-type variant; arginine slowed the aging of droplets at atmospheric conditions by inhibiting the formation of HP-LLPS more selectively compared to that of LP-LLPS. Our findings provide new insight into the mechanism by which R495X readily forms cytoplasmic aggregates. Targeting the aberrantly formed liquid droplets (the HP-LLPS state) of proteins with minimal impact on physiological functions could be a novel therapeutic strategy for LLPS-mediated protein diseases.

Solid–liquid phase transition simulated by the lattice Boltzmann model: from pore scale to representative elementary volume scale

Purpose This paper aims to establish a lattice Boltzmann (LB) method for solid-liquid phase transition (SLPT) from the pore scale to the representative elementary volume (REV) scale. By applying this method, detailed information about heat transfer and phase change processes within the pores can be obtained, while also enabling the calculation of larger-scale SLPT problems, such as shell-and-tube phase change heat storage systems. Design/methodology/approach Three-dimensional (3D) pore-scale enthalpy-based LB model is developed. The computational input parameters at the REV scale are derived from calculations at the pore scale, ensuring consistency between the two scales. The approaches to reconstruct the 3D porous structure and determine the REV of metal foam were discussed. The implementation of conjugate heat transfer between the solid matrix and the solid−liquid phase change material (SLPCM) for the proposed model is developed. A simple REV-scale LB model under the local thermal nonequilibrium condition is presented. The method of bridging the gap between the pore-scale and REV-scale enthalpy-based LB models by the REV is given. Findings This coupled method facilitates detailed simulations of flow, heat transfer and phase change within pores. The approach holds promise for multiscale calculations in latent heat storage devices with porous structures. The SLPT of the heat sinks for electronic device thermal control was simulated as a case, demonstrating the efficiency of the present models in designing and optimizing SLPT devices. Originality/value A coupled pore-scale and REV-scale LB method as a numerical tool for investigating phase change in porous materials was developed. This innovative approach allows for the capture of details within pores while addressing computations over a large domain. The LB method for simulating SLPT from the pore scale to the REV scale was given. The proposed method addresses the conjugate heat transfer between the SLPCM and the solid matrix in the enthalpy-based LB model.

Soft and stretchable protective substrates for wearable thermal managements: Polydimethylsiloxane (PDMS) composites containing paraffin microcapsules with silica nanoshells

Wearable thermal management has attracted extensive attention of researchers and clinicians due to their great potential application in the field of wearable and smart electronic device. In this research, the flexible PCMs composites as soft and stretchable protective substrates have been prepared for wearable thermal management through simple mixing and curing process of PDMS and paraffin encapsulated inside silica nanoshell (paraffin microcapsules). Systematic experiments have been carried out to illustrate the stress-strain curves, thermal insulating performance, stretchability and other properties varying with temperature. The obtained PDMS composite (P10M7, 7 g paraffin microcapsules in 10 g PDMS matrix) was soft and stretchable which can be subjected to complex deformations (such as stretch, twist, stretch/twist) over 100 % without failures. The silica nanoshells of paraffin microcapsules can not only avoid the leakage of paraffin during solid-liquid phase transition process, but also act as the support reinforced shell to maintain the mechanical properties upon paraffin melting point. Furthermore, the infrared thermal imaging research shown that PDMS composites with paraffin microcapsules exhibited faster temperature increment than PDMS composite with neat paraffin for the good compatibility between PDMS matrix and paraffin microcapsules which can reduce interface thermal resistance and improve thermal conduction during heating procedure. This study provides a feasible strategy to design and fabricate flexible PCMs composites for wearable thermal management device.

Vitrimeric phase change material facilitating 3D-structured boron nitride network for reliable thermal conductive interface materials

Phase change materials (PCMs) shows great promise as thermal interface materials (TIMs) due to their compliance and thermal management properties from solid-liquid phase transition characteristics. However, the significantly reduced thermal conductivity resulting from that randomly dispersed thermal conductive fillers susceptible to localized volume change by solid-liquid phase transition deteriorates the reliable heat transfer of TIM but is often overlooked. In this work, 3D-structured network of boron nitride (BN) fillers is created in vitrimeric PCM (vPCM) consisting of dynamic covalent crosslinked polyolefin elastomer (POE)/paraffin wax (PW) blends. The resulted composites with interconnected BN network show a through-plane thermal conductivity (κ⊥) of 3.08 W m−1 K−1 at 29.8 vol% BN. Significantly, the composites can keep the BN network continuous when heated, and remain κ⊥ of about 1.4 W m−1 K−1 after the solid-liquid phase transition of PW, which ensures reliable heat transfer when achieving thermal management by melting endotherm of PW. Moreover, the composites conform to the surface topography of sandwiching surfaces through solid plasticity under low stress when the crosslinked network rearranges via the exchange of dynamic covalent bonds activated by the melting of POE, reducing the thermal contact resistance. When the composites are used as TIM through thermally triggered reconfigurable package procedures at 80 °C and 50 kPa, the heat dissipation is better than a commercial thermal pad with κ⊥ of 3.86 W m−1 K−1. Vitrimeric PCM facilitates reliable 3D-structured BN network and thermally triggered conformability, paving a promising way for high-performance TIM with excellent heat dissipation.

Theoretical investigation on the solid-liquid phase transition of gallium through free energy analysis.

Gallium, renowned for its notably low melting point and unique property of becoming liquid at room temperature, is a valuable constituent in phase change materials. In this study, we investigate the solid-liquid phase transition of gallium using the modified embedded atom method (MEAM) potential. It addresses the technique to compute the free energy difference between the solid and liquid without using a reference state. We examine various thermodynamic and dynamic properties, including density, specific heat capacity, diffusivity, and radial distribution functions. We compute the coexistence temperature of the solid-liquid phase transitions of gallium from free energy analysis. This information is crucial for understanding the behavior of the material under different pressure conditions and can be valuable for various applications, such as materials processing and high-pressure studies. The analysis, findings, and insights of the present work will be of great significance to the broad scientific and engineering communities in the field of phase transformation of materials. A series of molecular dynamics(MD) simulations were conducted using the LAMMPS software packages. The gallium atoms are modeled using the modified embedded atom method (MEAM) potential. To accurately predict the solid-liquid phase transitions of gallium, we calculated free energy by employing the "constrained λ integration" method, coupled with multiple histogram reweighting (MHR). The solid-liquid coexistence line is determined through the Gibbs-Duhem integration technique.

A CALPHAD-Informed Enthalpy Method for Multicomponent Alloy Systems with Phase Transitions

Solid–liquid phase transitions of metals and alloys play an important role in many technical processes. Therefore, corresponding numerical process simulations need adequate models. The enthalpy method is the current state-of-the-art approach for this task. However, this method has some limitations regarding multicomponent alloys as it does not consider the enthalpy of mixing, for example. In this work, we present a novel CALPHAD-informed version of the enthalpy method that removes these drawbacks. In addition, special attention is given to the handling of polymorphic as well as solid–liquid phase transitions. Efficient and robust algorithms for the conversion between enthalpy and temperature were developed. We demonstrate the capabilities of the presented method using two different implementations: a lattice Boltzmann and a finite difference solver. We proof the correct behaviour of the developed method by different validation scenarios. Finally, the model is applied to electron beam powder bed fusion—a modern additive manufacturing process for metals and alloys that allows for different powder mixtures to be alloyed in situ to produce complex engineering parts. We reveal that the enthalpy of mixing has a significant effect on the temperature and lifetime of the melt pool and thus on the part properties.

Simulation of phase change during the freezing of unsaturated porous media by using a coupled lattice Boltzmann model

PurposeThe purpose of this paper is to develop a coupled lattice Boltzmann model for the simulation of the freezing process in unsaturated porous media.Design/methodology/approachIn the developed model, the porous structure with complexity and disorder was generated by using a stochastic growth method, and then the Shan-Chen multiphase model and enthalpy-based phase change model were coupled by introducing a freezing interface force to describe the variation of phase interface. The pore size of porous media in freezing process was considered as an influential factor to phase transition temperature, and the variation of the interfacial force formed with phase change on the interface was described.FindingsThe larger porosity (0.2 and 0.8) will enlarge the unfrozen area from 42 mm to 70 mm, and the rest space of porous medium was occupied by the solid particles. The larger specific surface area (0.168 and 0.315) has a more fluctuated volume fraction distribution.Originality/valueThe concept of interfacial force was first introduced in the solid–liquid phase transition to describe the freezing process of frozen soil, enabling the formulation of a distribution equation based on enthalpy to depict the changes in the water film. The increased interfacial force serves to diminish ice formation and effectively absorb air during the freezing process. A greater surface area enhances the ability to counteract liquid migration.