High-density Phase Research Articles

Improving Bulk and Interfacial Lithium Transport in Garnet-Type Solid Electrolytes through Microstructure Optimization for High-Performance All-Solid-State Batteries.

Garnet-type Li6.4La3Zr1.4Ta0.6O7 (LLZTO) is regarded as a highly competitive next-generation solid-state electrolyte for all-solid-state lithium batteries owing to reliable safety, a wide electrochemical operation window of 0-6 V versus Li+/Li, and a superior stability against Li metal. Nevertheless, insufficient interface contacts caused by pores, along with Li dendrite growth at these voids and grain boundary regions, have hindered their commercial application. Herein, we suggest a method to produce high-quality LLZTO using LiAlO2 (LAO) as a chemical additive that leads to an improved microstructure with larger grain size (∼25 μm), a high relative density (∼96%), lower porosity (∼3.7%), and continuous secondary phases in grain boundary regions. This improved structure results in (i) improved Li-ion conductivity and enhanced interfacial resistance between Li metal and LLZTO by a denser structure with fewer pores and (ii) suppression of Li dendrite penetration in the electrolyte by secondary phases in grain boundary regions.

Experimental study on enhancing pedestrian efficiency and crowd safety with regular sound under open boundaries

Abstract We empirically investigated the impact of regular sound on planar pedestrian movement in open boundary environments, a rarely studied topic. Participants walked to regular sound with different tempos (70 BPM vs. 100 BPM) and types (monotone vs. periodic ‘tick-tack’ rhythm). We found that regular sounds at 100 BPM, close to the normal walking pace, improve pedestrian efficiency. They reduce passing time by 8.41% and increase average flow by 9.50%. This efficiency enhancement is lower compared to single-file experiment with periodic boundaries, where reaching a high-density jammed phase is easier. Additionally, this efficiency enhancement from sound is reduced by unstable step synchronization under open boundaries and turning behavior. Regular sound significantly improves crowd safety in turning areas, where congestion levels (Cls) and crowd danger (Cd) are highest. Cls decrease by 8.27% with the 100 BPM monotone, and Cd decreases by 19.1% with the 100 BPM periodic rhythm. Operationally, regular sounds at 100 BPM can be used to guide pedestrian flow smoothly and effectively in crowd management.

Exceptional elevated-temperature properties of a Laves phase-strengthened CoNiCrFe high-entropy alloy

This work reported a Laves phase-strengthened high-entropy alloy, featured by high-density Laves phase particles uniformly distributed within a face-centered cubic matrix. The pinning effect from these fine Laves phase particles on matrix grain growth and dislocation gliding results in extraordinary microstructure stability and mechanical properties. Additionally, the alloy demonstrates superior oxidation resistance, attributed to the formation of a Cr/Si-rich oxide film and beneficial effects from the Laves phase.

Thermodynamics, phase diagram, structure and anomalies of supercooled aqueous solutions of trehalose: A molecular dynamics study

We perform molecular dynamics simulations of supercooled solutions of trehalose in TIP4P/2005 water, with concentrations of 20 and 40 wt% (weight percentage) in trehalose, a disaccharide often used in cryopreserving solutions. We analyze the thermodynamics and the structure of these solutions. From the isochores we find that in the 20 wt% solution the temperature of maximum density (TMD) line is still present and it is shifted to lower temperatures with respect to that of pure water. We also find that the Widom line and the liquid-liquid critical point (LLCP) are still present for this concentration and we estimate the position of the LLCP to be shifted at lower temperatures and slightly lower pressures with respect to that of pure water. In the 40 wt% solution we find that the TMD line still persists, but the region of density anomaly shrinks. No LLCP is observed down to the lowest temperature investigated, and maxima of the isothermal compressibility, used as proxy for the Widom line, become weaker. The water oxygen - water oxygen radial distribution functions keep on showing the typical distinction between high density and low density liquid found in pure water, but at low temperatures the presence of trehalose appears to favor the high density phase of water more than in pure water. The number of water molecules of the solvation shell confirms this picture.

Fully polarized Fermi systems at finite temperature.

We propose a simple model of an interacting, fully spin-polarized Fermi gas in dimensions d=2 and d=3, and derive the approximate expression for the energy spectrum and the corresponding formula for the Helmholtz free energy. We analyze the thermodynamics of the system and find the lines of first-order phase transitions between the low- and high-density phases terminating at critical points. The properties of the corresponding phase diagrams are qualitatively different for d=2 and 3, and sensitively depend on the interparticle attraction, which marks a departure from the standard van der Waals theory. The differences originate from the Pauli exclusion principle and are embedded in the fermionic nature of the system under study.

Thickness dependence and crystallization properties of amorphous GeTe thin films on silicon dioxide

Radio frequency magnetron sputtering was used to prepare the amorphous GeTe thin films on silicon dioxide and the thickness effects on the crystallization behavior were investigated. With the film thickness reducing, the crystallization temperature, crystallization activation energy, amorphous and crystalline resistance increase remarkably, indicating the great improvement in thermal stability and power consumption. Ozawa’s model was used to estimate the crystallization kinetics of GeTe thin films, it shows that nucleation and grain growth occur simultaneously, and grain growth dominates ultimately. XRD analysis demonstrated that the grain size can be reduced and the crystallization process of GeTe thin film can be inhibited with the film thickness decreasing. Furthermore, the thinner film has smaller resistance drift index and surface roughness, which are beneficial to improve the reliability of storage device. T-type phase change memory devices based on 25 nm GeTe thin film were fabricated by 0.13 μm CMOS technology, and the current–voltage and resistance-voltage characteristics demonstrate the excellent electrical performance, including the fast resistance switching between SET and RESET processes, low threshold current and voltage. All the results proved the strong dependency relationships between the crystallization properties and film thickness of GeTe thin film, which paves the way for developing high-density phase change memory in the fields of big data and artificial intelligence.

Disorder Analysis in Infrared Spectroscopy of Acetylene Ice.

A new method to investigate disorder in ice films is proposed and applied to acetylene ice. It is based on a quantitative analysis of the infrared spectrum data, which includes: the Brendel-Bormann model for the material's dielectric function; molecular vibration modes calculated by density functional theory (DFT); a monomer-dimer model for amorphous ice; and a peak-shape analysis through Levenberg-Marquardt nonlinear regression. Acetylene ice films with different degrees of disorder were investigated with the proposed method. The results provide an estimate of the degree of disorder in the films and indicate the possibility of existence of a second amorphous phase of acetylene ice grown at temperatures of about 15 K and then annealed. This phase would be similar to the high-density amorphous phase observed for water ice. The infrared data in this work is compared with those from the literature for acetylene gas, acetylene film, and acetylene aerosol. A qualitative analysis reveals differences in the degree of disorder in each system and points to a crystallinity limit for acetylene ice film; that is, the crystalline acetylene film has a higher degree of intrinsic disorder than the crystalline acetylene aerosol.

Effects of magnetic field heat treatment on magnetic properties and microstructure of Sm2Co17-type sintered magnets

Sm2Co17-type sintered magnets have attracted widespread attention for their excellent magnetic properties and thermal stability. The magnetic properties largely depend on the cellular structure and Cu, Fe distributions within these magnets. This paper systematically studies the effect of magnetic field heat treatment (MFHT) on the magnetic properties and microstructure of Sm2Co17-type sintered magnets. MFHT improves the room-temperature magnetic properties and remanence temperature stability of magnets but slightly deteriorates the temperature coefficient of intrinsic coercivity. A microstructure analysis shows that MFHT improves the cell boundary phase content and optimizes the cellular structure and Cu, Fe distributions of magnets. A high-density short lamellar phase, possibly induced by MFHT, provides easy diffusion paths for Cu and Fe, thereby improving the magnetic properties of magnets. Compared with conventional aging treatment, this paper proposes a promising method to improve the magnetic properties of Sm2Co17-type sintered magnets under the same heat treatment time and temperature.

Generalized denoising network LGCT-Net for various types of ESPI wrapped phase patterns

In this paper, we propose a generalized network based on our proposed Local-Global Channel Transformer (LGCT) module for denoising various types of ESPI wrapped phase patterns (including low-density, medium-density, high-density, variable-density, and discontinuous phase patterns). The Conv + BN + ReLU layer consists of convolution (Conv), batch normalization (BN), and the rectified linear unit (Relu) in series. The generalized network LGCT-Net interleaves four LGCT modules with five Conv + BN + ReLU layers in a dense connection manner. We propose the LGCT Module by stacking three Dilated-Group Convolution blocks (DGC block), a Contextual Transformer block (CoT block), and an Efficient Channel Attention block (ECA block). The LGCT module simultaneously leverages the local context extraction capability of convolutions and the powerful global information extraction capability of a transformer. Additionally, it performs feature extraction in both spatial and channel dimensions. We also create a diverse ESPI wrapped phase pattern denoising dataset with various densities, shapes, noise levels, and discontinuity. We successfully train the LGCT-Net without any preprocessing or postprocessing steps. We evaluate the performance of our method on simulated and experimental ESPI wrapped phase patterns with discontinuity and different densities. Then we compare it with previously published denoising methods PEARLS, HDCNN, ADCNN, and DBDNet quantitatively and qualitatively. The results show that our method facilitates the reduction of speckle noise and the enhancement of fine details while preserving structure and shape, outperforming the compared methods. In the end, we apply our method to dynamic measurements of nuclear graphite ESPI phase patterns at different times. And then performing phase unwrapping on the filtered phase patterns, we achieve successful results.

Effect of aliphatic alcohol-based and polyglycol polymer-based foaming agents on the water-liquid-vapor interface by means of molecular dynamics

The effect of foaming agents, or frothers, on the water-liquid-vapor interface is studied through molecular dynamics at different frother concentrations. The frothers are aliphatic alcohol-based, such as hexanol, methyl isobutyl carbinol (MIBC), and octanol, and polyglycol polymer-based, such as DF-200 and DF-250. The aim is to delve into the stability they confer to the interfaces they participate in and elucidate some of the differences between these two types of widely used frothers. The results indicate that frothers at the interface tend to be located outside the liquid phase towards the high-density vapor phase and that this behavior is more pronounced in polyglycol-based frothers. The structure of water is most affected by polyglycol-type frothers whose polar groups induce the water to adopt orientations that maximize hydrogen bonding. This effect increases with concentration. Unlike alcohols, which produce thin and dry interfaces with stability determined by the repulsion of their polar heads, polyglycol-based frothers produce thicker interfaces with structured-water whose stability is determined by an extended network of hydrogen bonds that produces water lamellae and plateau borders between bubbles, preventing coalescence. The results suggest that hydrogen bonding in polyglycols prevails over the other existing molecular forces in stabilizing the froth zone.

Simulating the Lyotropic Phase Behavior of a Partially Self-Complementary DNA Tetramer.

DNA oligomers in solution have been found to develop liquid crystal phases via a hierarchical process that involves Watson-Crick base pairing, supramolecular assembly into columns of duplexes, and long-range ordering. The multiscale nature of this phenomenon makes it difficult to quantitatively describe and assess the importance of the various contributions, particularly for very short strands. We performed molecular dynamics simulations based on the coarse-grained oxDNA model, aiming to depict all of the assembly processes involved and the phase behavior of solutions of the DNA GCCG tetramers. We find good quantitative matching to experimental data at both levels of molecular association (thermal melting) and collective ordering (phase diagram). We characterize the isotropic state and the low-density nematic and high-density columnar liquid crystal phases in terms of molecular order, size of aggregates, and structure, together with their effects on diffusivity processes. We observe a cooperative aggregation mechanism in which the formation of dimers is less thermodynamically favored than the formation of longer aggregates.

Influence mechanism of hydrocyclone main diameter on separation performance

The main diameter of hydrocyclone (HC) has significant effects on separation performance. However, the differences of flow field characteristics within different HCs have not been understood well yet, which makes it impossible to grasp the influence mechanism of the main diameter on the separation performance. Through the study of the migration trajectories of particles, it is found that the greater the diameter and the finer the particles, the more particles escape from the overflow outlet. The relationships between the longest residence time and the HC main diameter for particles with 10 and 15 μm were, respectively, clarified. The high-speed video and particle image velocimetry experiments were performed and found although the main diameter of a large-HC (LHC) is twice that of a mini-HC (MHC), its air-core diameter is much larger than twice that of MHC, which is not beneficial for separations. The axial velocity around the central axis area in LHC is higher than that of the MHC, which helps separate low-density discrete phases from the overflow outlet at a faster speed but not for the separations of high-density discrete phases from the underflow outlet. The angle of the locus of zero vertical velocity in MHC is larger than that of LHC, which is anticipated to enhance the separation efficiency for the high-density discrete phase. This study first reveals the influence mechanism of the HC main diameter on its separation performance from the perspective of the flow field characteristics, which would hopefully provide significant references for the applications of HCs.

Askey–Wilson Signed Measures and Open ASEP in the Shock Region

Abstract We introduce a family of multi-dimensional Askey–Wilson signed measures. We offer an explicit description of the stationary measure of the open asymmetric simple exclusion process (ASEP) in the full phase diagram, in terms of integrations with respect to these Askey–Wilson signed measures. Using our description, we provide a rigorous derivation of the density profile and limit fluctuations of open ASEP in the entire shock region, including the high and low density phases as well as the coexistence line. This in particular confirms the existing physics postulations of the density profile.

Mixing times and cutoff for the TASEP in the high and low density phase

Mixing times and cutoff for the TASEP in the high and low density phase

Liquid-liquid transition in a simple model fluid with competitive interactions

The possible existence of low-density and high-density fluid phase equilibria in fluids with a simple potential consisting in a combination of a square shoulder and a square well is explored by means of perturbation theory and histogram-reweighting grand canonical Monte Carlo simulation. Theory is useful as a simple and computationally inexpensive way to explore large sets of potential parameters to search for potential shapes susceptible to present multiple fluid phases, later confirmed or discarded from computer simulation. It is found that some combinations of the length and energy parameters of the potential actually give rise to such behaviour.

Microscopic pathways of transition from low-density to high-density amorphous phase of water.

In recent years, much attention has been devoted to understanding the pathways of phase transition between two equilibrium condensed phases (such as liquids and solids). However, the microscopic pathways of transition involving non-equilibrium, non-diffusive amorphous (glassy) phases still remain poorly understood. In this work, we have employed computer simulations, persistence homology (a tool rooted in topological data analysis), and machine learning to probe the microscopic pathway of pressure-induced non-equilibrium transition between the low- and high-density amorphous (LDA and HDA, respectively) ice phases of the TIP4P/2005 and ST2 water models. Using persistence homology and machine learning, we introduced a new order parameter that unambiguously identifies the LDA- and HDA-like local environments. The LDA phase transitions continuously and collectively into the corresponding HDA phase via a pre-ordered intermediate phase during the isothermal compression. The local order parameter susceptibilities show a maximum near the transition pressure (P*)-suggesting maximum structural heterogeneities near P*. The HDA-like clusters are structurally ramified and spatially delocalized inside the LDA phase near the transition pressure. We also found manifestations of the first-order low-density to high-density liquid transition in the sharpness of the order parameter change during the LDA to HDA transition. We further investigated the (geometrical) structures and topologies of the LDA and HDA ices formed via different protocols and also studied the dependence of the (microscopic) pathway of phase transition on the protocol followed to prepare the initial LDA phase. Finally, the method adopted here to study the phase transition pathways is not restricted to the system under consideration and provides a robust way of probing phase transition pathways involving any two condensed phases at both equilibrium and out-of-equilibrium conditions.

The role of Mg content in regulating microstructures and mechanical properties of Al–Mg–ZnO composites fabricated via in-situ reaction sintering

Al–Mg-oxides composite system exhibits great potential for achieving aluminum matrix composites (AMCs) with exceptional mechanical properties. However, the effects of Mg element on in-situ reaction mechanism and precipitation behavior remains largely unknown. In this work, Al–Mg–ZnO composite was successfully fabricated by using segmented ball milling, reaction sintering and heat treatment, resulting in an ultimate tensile strength of ∼760 MPa and fracture elongation of ∼3.5 %. The Mg content-dependent reaction pathway and precipitation evolution were systematically investigated through thermodynamic analysis and microstructural characterization. The results revealed that the relatively high Mg content promotes the in-situ generation of the hybrid reinforcements composed of MgAl2O4 and MgO. Additionally, the semi-coherent reinforcement-matrix interface facilitates interfacial precipitation by reducing the energy barrier for nucleation. Consequently, solute-rich/vacancy-rich Guinier-Preston (GP) zones are activated to form η′ and T′ precipitates. These high-density nano-sized secondary phases contribute to the considerable strengthening effect of the composite. The present work provides valuable theoretical insight into the effect of Mg content on the microstructure evolution of Al–Mg–ZnO composite system, which offers promising avenues for achieving AMCs with superior mechanical properties.

Pulsar as a Weber detector of gravitational waves and a probe to its internal phase transitions

It is believed that cores of neutron stars provide a natural laboratory where exotic high baryon density phases of quantum chromo dynamics (QCD) may exist. In fact, the theoretically well-established neutron superfluid phase is also believed to be found only inside neutron stars. Focus on neutrons stars has tremendously intensified in recent years with the direct detection of gravitational waves (GWs) by LIGO/Virgo from binary neutron star (BNS) merger events which has allowed the possibility of directly probing the properties of the interior of a neutron star. A truly remarkable phenomenon manifested by rapidly rotating neutron stars is in their avatar as Pulsars. The accuracy of pulsar timing can reach the level of one part in 10[Formula: see text], comparable to that of atomic clocks. Indeed, it was such a great accuracy which had allowed the first indirect detection of GWs from a BNS system. Such an incredible accuracy of pulse timings points to a very interesting possibility. Any deformation of the pulsar, even if it is extremely tiny, has the potential of leaving its imprints on the pulses through introduction of tiny perturbations in the entire moment of inertia (MI) tensor. While, the diagonal components of perturbed MI tensor affect the pulse timings, the off-diagonal components lead to wobbling of pulsar, directly affecting the pulse profile. This opens up a new window of opportunity for exploring various phase transitions occurring inside a pulsar core, through induced density fluctuations, which may be observable as perturbations in the pulse timing as well as its profile. Such perturbations also naturally induce a rapidly changing quadrupole moment of the star, thereby providing a new source of GW emission. Another remarkable possibility arises when we consider the effect of an external GW on neutron star. With the possibility of detecting any minute changes in its configuration through pulse observations, the neutron star has the potential of performing as a Weber detector of GW. This brief review will focus on these specific aspects of a pulsar. Specifically, the focus will be on the type of physics which can be probed by utilizing the effect of changes in the MI tensor of the pulsar on pulse properties.

A novel multi-stage enrichment workflow and comprehensive characterization for HEK293F-derived extracellular vesicles.

Extracellular vesicles (EVs) are emerging as a promising drug delivery vehicle as they are biocompatible and capable of targeted delivery. However, clinical translation of EVs remains challenging due to the lack of standardized and scalable manufacturing protocols to consistently isolate small EVs (sEVs) with both high yield and high purity. The heterogenous nature of sEVs leading to unknown composition of biocargos causes further pushback due to safety concerns. In order to address these issues, we developed a robust quality-controlled multi-stage process to produce and isolate sEVs from human embryonic kidney HEK293F cells. We then compared different 2-step and 3-step workflows for eliminating protein impurities and cell-free nucleic acids to meet acceptable limits of regulatory authorities. Our results showed that sEV production was maximized when HEK293F cells were grown at high-density stationary phase in semi-continuous culture. The novel 3-step workflow combining tangential flow filtration, sucrose-cushion ultracentrifugation and bind-elute size-exclusion chromatography outperformed other methods in sEV purity while still preserved high yield and particle integrity. The purified HEK293F-derived sEVs were thoroughly characterized for identity including sub-population analysis, content profiling including proteomics and miRNA sequencing, and demonstrated excellent preclinical safety profile in both in-vitro and in-vivo testing. Our rigorous enrichment workflow and comprehensive characterization will help advance the development of EVs, particularly HEK293F-derived sEVs, to be safe and reliable drug carriers for therapeutic applications.

A novel Gd2O3–Al2O3–SiO2 glass-ceramics substrate material with comprehensive performance

A novel Gd2O3–Al2O3–SiO2 glass-ceramics (GAS GCS) for substrate application was prepared using the melt-quenching method. The present study pay attention to investigate the crystallization and sintering behaviors, phase compositions, micromorphology, dielectric and mechanical properties of GAS glass-ceramics. An appropriate amount of Gd2O3 diminished the glass viscosity while enhancing structural stability, thereby reducing the activation energy for crystallization and sintering. This contributed to the GAS GCS achieve dense microstructure and high crystallinity. X-ray diffraction (XRD) and Raman spectroscopy analyses confirmed the presence of high-density crystal phases, namely Gd2SiO5 and Gd2Si2O7, which significantly contribute to the enhanced density of the samples. Moreover, a positive correlation was observed between the dielectric constant and crystallinity. Notably, the GAS GCS composition of 41 wt% Gd2O3-21.3 wt% Al2O3-37.7 wt% SiO2 exhibited optimal properties, including a flexural strength of 243.4 MPa, Vickers hardness of 7.77 GPa, elastic modulus of 154.02 GPa, coefficient of thermal expansion of 5.9 × 10−6/°C, dielectric constant of 7.43, and dielectric loss of 4.05 × 10−3. These outstanding characteristics position it as a promising candidate for substrate materials.