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Journal of Materials Research and Technology-JMR&T · 2022 · IF 6.267

Effect of Na2O on the sintering and melting behavior of CaO-SiO2-CaF2 slag

Funian Han,Liang Yu,Guanghua Wen,Jun Guo,Chunhua Ran,Shaopeng Gu

In this study, the effect of Na 2 O on the sintering and melting behavior of representative CaO-SiO 2 -CaF 2 slag were synthetically investigated by TG-DSC, DIL, XRD, SEM, XPS, and BET. As expected, most shrinkage of CaO-SiO 2 -CaF 2 slags with and without Na 2 O during the sintering process originated from solid-phase sintering, and the formation temperature of cuspidine as the sintering phase was reduced by Na 2 O to 550 °C. While Na 2 O also transformed Ca 4 Si 2 O 7 F 2 to Ca 2 NaSiO 4 F at 650 °C–880 °C and caused unexpected volume expansion, owing to increased cell volume and corresponding pore expansion. Moreover, Na 2 O reduced the melting point of CaO-SiO 2 -CaF 2 slag and promoted the volatilization of fluoride by changing the final phase before melting.

研究领域: 材料科学 · 冶金工程
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2017 · IF 2.726

Heat capacities of some sugar alcohols as phase change materials for thermal energy storage applications

Rui Jia,Keyan Sun,Rongchun Li,Youyou Zhang,Wenxia Wang,Heng Yin,Dawei Fang,Quan Shi,Zhicheng Tan

In recent years, sugar alcohols have attracted much attention due to their remarkable phase change properties for thermal energy storage applications. The thermodynamic properties especially the heat capacities would play a crucial role in theoretically and technically investigating the energy storage performance for sugar alcohols. However, as far as we known, the heat capacities of sugar alcohols have never been studied in a wide temperature region. In this study, we have measured the heat capacities of six sugar alcohols of D-mannitol, Myo-Inositol, xylitol, D-arabinitol, L-arabinitol and erythritol in the temperature range from T   =   (1.9 to 550) K for the first time using a combination of Physical Property Measurement System and differential scanning calorimeter. Based on the heat capacity curve fitting, the standard molar heat capacity, entropy and enthalpy at 298.15   K and 0.1   MPa, and melting temperature and transition enthalpy in the solid–liquid phase transition region were consequently obtained for these sugar alcohols. Moreover, the heat capacity and phase transition properties obtained in this work were also compared with previous results reported in literature.

研究领域: 热力学 · 材料科学
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INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER · 2025 · IF 5.8

Electric field driven nanoparticle redistribution for adaptive control of PCM melting

Boyu Li,Zirui Xu,Jian Wu

High latent heat capacity of Phase Change Materials (PCMs) makes them suitable for temperature regulation. However, their low thermal conductivity limits the net heat transfer rate. Introducing nanoparticles into PCMs and applying electric fields offers an effective way to enhance the thermal performance. The present study explores a coupled nanoparticle (Al₂O₃) - electric field strategy to actively control and enhance thermal transport in PCMs. The nanoparticle mobility and spatial distribution are controlled by tuning nanoparticle size and electric field polarity, enabling precise modulation of thermal resistance and phase transition kinetics. It will adaptively control the PCM melting and the operating temperature of the heating wall effectively. Our findings indicate that adjusting the nanoparticle size from 30 nm to 100 nm enables the forces acting on the particles in the liquid PCMs to approach equilibrium. Additionally, altering the field polarity influences the spatial arrangement of 100 nm nanoparticles within the liquid phase. Under a negative voltage, the composite PCM achieves a 42.0 % reduction in wall temperature and limits temperature fluctuation to just 3.3 °C by lowering thermal resistance in the lower cavity region. This work demonstrates, for the first time, that melting behavior in nanoparticle-enhanced PCMs can be actively tuned via synergistic electric and thermal fields, offering a new paradigm for adaptive thermal management systems.

CAS / MDL: 112-80-1 593-45-3
研究领域: 材料科学 · 热能工程 · 纳米技术
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Materials Today Communications · 2023 · IF 3.8

Study on the fabricating process of LaB6 reinforced Ti6Al4V by selective laser melting

Hui Wang,Dongdong He,Weidong Huang,Xinxi Chen,Yu Wang,Lihong Huang

In this study, LaB 6 -reinforced Ti6Al4V was successfully fabricated by the selective laser melting (SLM) process. TiB and La 2 O 3 with particle-like shapes formed uniformly after the in-situ reaction of LaB 6 and Ti6Al4V. The sizes of the TiB and La 2 O 3 particles were around 1 µm and 200 nm, respectively. Due to a combined strengthening effect of the micrometer-scale and nanoscale reinforcements, the mechanical properties of the LaB 6 /Ti6Al4V samples were enhanced significantly. However, the effect was highly related to the SLM parameters. As the laser power increased, the TiB changed from particle to needle-like shape and La 2 O 3 tended to aggregate and grow into a larger size. Besides, the martensite α-Ti also became coarser, which was disadvantageous to the mechanical performance. The desired inner structure can be obtained by adjusting the processing parameters of the SLM. The best mechanical performance of the SLM LaB 6 /Ti6Al4V samples was achieved at the laser power of 260 W and the scanning speed of 500 mm/s. The maximum tensile strength and Vickers hardness were 1337.1 MPa and 477.62 HV, respectively, which outperformed the other counterparts significantly. Thus, the results suggest that the in-situ reaction of LaB 6 and Ti6Al4V can improve the mechanical properties of the Ti6Al4V alloys effectively.

CAS / MDL: 12008-21-8
研究领域: 材料科学 · 增材制造
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Journal of Chemistry · 2012 · IF 0

Phase Behavior of Undecane-Dodecane Mixtures Confined in SBA-15

Xiao Yan,Hai-Rong Pei,Tong-Bo Wang,Wen-Bo Liu,Xiao-Zheng Lan

Phase behavior of undecane-dodecane mixtures (n-C11H24-C12H26, C11-C12) in bulk and confined in SBA-15 (pore diameters 3.8, 7.8, and 17.2 nm) has been studied by differential scanning calorimetry. Phase diagram of the confined C11-C12 system shows dependence on pore size, indicating simple behavior compared with the bulk. In the three systems, melting points of the confined C11, C12 and the mixtures ( = 0.1–0.9) present a linear relation with the pore diameter from 3.8 to 17.2 nm. Melting behavior of the confined C11-C12 mixtures is closely as the confined C11, C12. Melting temperatures of the three systems have been fitted as a function of mole fraction .

研究领域: 材料科学 · 物理化学
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ENERGY AND BUILDINGS · 2017 · IF 4.067

Numerical investigation on optimal number of longitudinal fins in horizontal annular phase change unit at different wall temperatures

Xiaoling Cao,Yanping Yuan,Bo Xiang,Liangliang Sun,Zhang Xingxing

The number, shape, and size of the fins utilized in a phase change unit form the key parameters affecting the heat transfer process in the unit. To the best of our knowledge, there are no relevant literature reports on the optimal number of fins in a horizontal annular phase change unit for different wall temperatures. To investigate the correlation between the number of fins and the wall temperature, in this study, based on a numerical simulation using the enthalpy-porosity model, we examine the phase-change material (PCM) melt with different numbers of installed fins ( n   =   4, 6, 8, 10, 12) at five different constant wall temperatures. The calculated results are analyzed and compared with those of the case without fins. The study results indicate that the addition of fins can effectively accelerate the PCM melting rate and shorten the melting time; further, the wall temperature also significantly affects the melting rate. We define the time-average Nusselt number ( N u ¯ ) as an indicator of heat transfer efficiency to analyze the heat transfer mechanism. The influence of the fin number and wall temperature on N u ¯ and the variation in N u ¯ at different stages of the melting process are investigated. According to the variation in the average wall heat flux, it can be concluded that the fin number has an optimal value for a specific wall temperature. The optimal number of fins according to this study is 10.

CAS / MDL: 143-07-7
研究领域: 热力学 · 数值模拟 · 工程热物理
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CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY · 2022 · IF 2.004

Melting and phase diagram of Au–Co alloy at nanoscale by thermodynamic modeling and key experiments

C. Zhang,Y. Wan,X.H. Liang,M.H. Rong,G.T. Ma,L. Li,C.H. Hu,Chengying Tang

Au–Co nanoparticles (NPs) were prepared by water-phase chemical reduction method with metal precursor. The samples were coated with silica by Stöber method and characterized by ultraviolet and visible spectrophotometer (UV–vis), transmission electron microscopy (TEM) to obtain the absorption spectrum , size, composition distribution of the nanoparticles. The melting behaviors of the prepared Au 8 Co 2 NPs and Au 6 Co 4 NPs were examined by differential scanning calorimetry (DSC). It was observed by DSC measurements that two endothermic effects existed in range of 700.0 K–1350.0 K, corresponding to the melting temperatures of the nanoparticles and the bulk Au–Co alloys, respectively. The surface tension, surface segregation and surface energy of Au–Co NPs of particle size and temperature were calculated by the Butler's equation. On the basis of the obtained experimental results and the Gibbs free energy contributed by surface effects of pure elements and alloys at nanoscale, the nanophase diagrams of Au–Co system with various sizes were optimized. It was indicated that the calculated nanophase diagrams were in good agreement with the experimental results. The calculated eutectic temperatures decreased with the decrease of the size.

研究领域: 材料科学 · 热力学
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JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE · 2025 · IF 2

Decomposition Behavior and Strengthening Mechanism of Ti-TiO2 Material in Selective Laser Melting Process

Xiang Hongliang,Chen Xiaoyu,Huang Ye,Wu Chaochao,Mou Gang,Zheng Kaikui

This study investigated the fabrication of a strengthened Ti-TiO 2 material with adding 0.5 wt.% TiO 2 nanoparticles via selective laser melting process in comparison with CP-Ti. Through the process parameters optimized by response surface methodology, the Ti-TiO 2 material fabricated by SLM showed remarkable tensile strength of 800.6 MPa and elongation of 14%, as compared to the fabricated CP-Ti with tensile strength of 594.0 MPa and elongation of 21%. The x-ray diffraction patterns of fabricated specimens showed the expansion of the hcp -Ti lattice along the c -axis due to dissolved oxygen atoms from the decomposition of TiO 2 nanoparticles. The microstructure analysis observed remains of incompletely decomposed TiO 2 and TiO phases in SLMed Ti-TiO 2 material, which was distinguished from former studies. Consequently, the decomposition behavior of added TiO 2 nanoparticles associated with the dissolved oxygen in the Ti-matrix during the SLM process was discussed. Based on the evaluation of both the solution effect of oxygen atoms and the reinforcing effect of undecomposed nanoparticles, the dissolved oxygen from decomposed TiO 2 was considered the primary factor in the intensified strength of SLMed Ti-TiO 2 material. These results could offer novel insights into the additive manufacturing of high-strength and biocompatible titanium alloy via the SLM process.

CAS / MDL: 13463-67-7
研究领域: 材料科学 · 生物医学工程
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INTERNATIONAL JOURNAL OF THERMAL SCIENCES · 2019 · IF 3.488

Atomistic insights into the effects of hydrogen bonds on the melting process and heat conduction of erythritol as a promising latent heat storage material

Biao Feng,Li-Wu Fan,Yi Zeng,Jing-Yu Ding,Xue-Feng Shao

Molecular dynamics (MD) simulations were performed to give insights into the effects of hydrogen bonds (HBs) on the melting process and heat conduction of erythritol as a promising latent heat storage material. First, among four force fields (GAFF, GROMOS, OPLS and CHARMM), the applicability of GROMOS force field was verified by comparing the predicted density and heat capacity of erythritol at various temperatures of interest with the measured values. The microscopic melting process of erythritol was simulated using the interface/NPT method, leading to a predicted melting point of ~394 K that agrees well with the measured value (~392 K). It was demonstrated that the variation of HBs energy associated with changes of molecular structure is the primary contribution to the latent heat. Upon melting, the strong inter-molecular HBs in solid erythritol break off and form weaker intra- and inter-molecular HBs in the liquid phase. In addition, non-equilibrium MD simulations were performed to study the microscopic heat conduction in erythritol molecules and to examine the dependence of the van der Waals (vdW) and Coulomb heat currents on the interatomic distance. It was revealed that the heat transfer capability of HB interactions is better than those of the Coulomb or vdW interactions. In the solid phase, the amount of heat transfer through HBs becomes greater with increasing the number of HBs. The results shed light on a promising approach to improving the latent heat storage capacity and thermal conductivity of erythritol (and other sugar alcohols) by manipulating the number and strength of HBs.

CAS / MDL: 149-32-6
研究领域: 材料科学 · 分子动力学
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CHEMICAL ENGINEERING JOURNAL · 2025 · IF 13.2

The role of hydrogen bonding and melting behaviors on H2 production during alkaline thermal treatment of lignocellulose

Guojie Liu,Houfang Lu,Kejing Wu,Guoqing Guan,Bin Liang

The interactions between the three major components of lignocellulose significantly affect the thermochemical conversion process and product distribution. Herein, the role of hydrogen bonding and the melting behaviors among the three major components on different H 2 production stages during alkaline thermal treatment (ATT) of lignocellulose are revealed for the first time. The melting behavior of xylan (120 ∼ 210 °C) and the unique hydrogen bonding between cellulose and xylan reinforced by molten xylan (120 ∼ 160 °C) are essentially responsible for the hysteresis of dehydrogenation and formation of active char (160 ∼ 235 °C). Hydrogen bonding gradually disappears during the formation and further reaction of active char. The melting behavior of xylan also hinders the mass transfer of gaseous products at 235 ∼ 350 °C and promotes the methanation reaction of active char. The slight melting behavior of lignin (200 ∼ 250 °C) has minimal effect on the dehydrogenation process, but exacerbates the carbonization reaction of the ATT process, leading to a decrease in H 2 production. Subsequently, the conversion of char is the main reaction above 350 °C and increasing the alkali addition facilitates the efficient conversion of char. Especially, the small discrepancy between the fitted and experimental values of H 2 production from ATT of real lignocellulose provides new insights into establishing a predictive model for H 2 production based on the three major components.

CAS / MDL: 9004-34-6 9014-63-5
研究领域: 能源与环境科学 · 化学工程
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Joule · 2024 · IF 38.6

Ordering one-dimensional chains enables efficient selenium photovoltaics

Wenbo Lu,Mingjie Feng,Zongbao Li,Bin Yan,Shuo Wang,Xin Wen,Xiaoyan An,Shunchang Liu,Jin-Song Hu,Ding-Jiang Xue

As the world’s first solid-state solar cells, selenium (Se) cells initiated contemporary photovoltaic research. However, the highest efficiency of Se photovoltaics has stagnated at 6.5% since 2017. Here, we report Se solar cells with a certified record efficiency of 7.2% through a critical melting-annealing strategy. This strategy provides enough energy to overcome the high activation energy of disordered Se chains and incorporate them into the lattice, arising from the unique one-dimensional crystal structure of photoactive trigonal Se. The resulting Se films exhibit a 2.3-fold reduction in trap density compared with conventional Se films. Such high-performance Se cells also achieve an efficiency of 18.0% under 1,000-lux indoor illumination, owing to their suitable wide band gap (∼1.9 eV) for indoor photovoltaics (IPVs). This efficiency surpasses those of market-dominant amorphous silicon and all currently available lead-free perovskite IPVs. We further construct Se IPV modules capable of generating a power of 559.8 μW, achieving self-powered wireless electronic shelf labels.

CAS / MDL: 17927-72-9
研究领域: 材料科学 · 光伏技术 · 能源转换
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SOLID STATE COMMUNICATIONS · 2019 · IF 1.433

The melting curve of cobalt under high pressure

Junpu Wang,Duanwei He,Xin Li,Jiawei Zhang,Qiang Li,Zhiwei Wang,Yuzhu Su,Yi Tian,Jing Yang,Bo Peng

The new melting curve of cobalt (Co) was determined to be 12 GPa using the in situ high-pressure temperature measurement method (HPTM) in a high-volume cubic press using two melting criteria: first, plateaus in the temperature vs power functions in situ experiments, and second, the texture changes in the samples before and after high-pressure high-temperature (HP-HT) treatments with a scanning electron microscope (SEM). The slope of the melting point with increasing pressure was approximately 33 K/GPa in our experimental pressure range and progressively decreased under further compression. Our new melting curve of Co under high pressure is reasonably consistent with the simulation results using one-phase and two-phase calculations and has a similar trend with the reported melting curves of Fe and Ni.

CAS / MDL: 7440-48-4
研究领域: 材料科学 · 物理学
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