Template-induced crystallization of charged colloids: a molecular dynamics study.

By using a large enough number of particles and implementing a parallel algorithm on the CUDA platform, we have performed brute-force molecular dynamics simulations to study the template-induced heterogeneous crystallization in charged colloids. Six kinds of templates, whose patterns include the planes of fcc(100), fcc(110), fcc(111), bcc(100), bcc(110) and bcc(111), have been implanted into the middle of the simulation box. Except the fcc(111) template, whose structure benefits not only fcc but also hcp crystals resulting in a similar behavior to homogeneous crystallization, bcc-type templates favor the formation of bcc crystals and bcc-like precursors while fcc-type templates favor the formation of fcc crystals and fcc-like precursors. Therefore, for fcc(100) and fcc(110) templates, heterogeneous crystallization will definitely result in a fcc crystallite. However, the results of heterogeneous crystallization that are induced by bcc-type templates are subtly different at different state points. At the state points where the interaction strength of charged colloids is weak and the fcc phase is thermodynamically stable, the bcc crystals formed with the promotion of bcc-type templates are not stable so as to tend to transform into fcc or hcp crystals. When the interaction strength of charged colloids is high, the predominant bcc crystals formed with the promotion of bcc-type templates can always persist within the time scale of simulation although not bcc but fcc crystals are thermodynamically stable.

Landslide Susceptibility Mapping by Fusing Convolutional Neural Networks and Vision Transformer.

Landslide susceptibility mapping (LSM) is an important decision basis for regional landslide hazard risk management, territorial spatial planning and landslide decision making. The current convolutional neural network (CNN)-based landslide susceptibility mapping models do not adequately take into account the spatial nature of texture features, and vision transformer (ViT)-based LSM models have high requirements for the amount of training data. In this study, we overcome the shortcomings of CNN and ViT by fusing these two deep learning models (bottleneck transformer network (BoTNet) and convolutional vision transformer network (ConViT)), and the fused model was used to predict the probability of landslide occurrence. First, we integrated historical landslide data and landslide evaluation factors and analysed whether there was covariance in the landslide evaluation factors. Then, the testing accuracy and generalisation ability of the CNN, ViT, BoTNet and ConViT models were compared and analysed. Finally, four landslide susceptibility mapping models were used to predict the probability of landslide occurrence in Pingwu County, Sichuan Province, China. Among them, BoTNet and ConViT had the highest accuracy, both at 87.78%, an improvement of 1.11% compared to a single model, while ConViT had the highest F1-socre at 87.64%, an improvement of 1.28% compared to a single model. The results indicate that the fusion model of CNN and ViT has better LSM performance than the single model. Meanwhile, the evaluation results of this study can be used as one of the basic tools for landslide hazard risk quantification and disaster prevention in Pingwu County.

Comparison of RetinaNet-Based Single-Target Cascading and Multi-Target Detection Models for Administrative Regions in Network Map Pictures.

There is a critical need for detection of administrative regions through network map pictures in map censorship tasks, which can be implemented by target detection technology. However, on map images there tend to be numerous administrative regions overlaying map annotations and symbols, thus making it difficult to accurately detect each region. Using a RetinaNet-based target detection model integrating ResNet50 and a feature pyramid network (FPN), this study built a multi-target model and a single-target cascading model from three single-target models by taking Taiwan, Tibet, and the Chinese mainland as target examples. Two models were evaluated both in classification and localization accuracy to investigate their administrative region detection performance. The results show that the single-target cascading model was able to detect more administrative regions, with a higher f1_score of 0.86 and mAP of 0.85 compared to the multi-target model (0.56 and 0.52, respectively). Furthermore, location box size distribution from the single-target cascading model looks more similar to that of manually annotated box sizes, which signifies that the proposed cascading model is superior to the multi-target model. This study is promising in providing support for computer map reading and intelligent map censorship.

Sequential P-GEMOX and radiotherapy for early-stage extranodal natural killer/T-cell lymphoma: A multicenter study.

Extranodal natural killer/T-cell lymphoma, nasal-type (ENKTL) is a distinct subtype of non-Hodgkin lymphoma and most of the patients presented localized disease. Combined modality therapy (CMT), namely chemotherapy combined with radiotherapy, has been recommended for patients with early-stage ENKTL. However, the optimal CMT has not been fully clarified. This study reports the efficacy and toxicity of sequential P-GEMOX (pegaspargase, gemcitabine and oxaliplatin) and radiotherapy in a large Chinese cohort comprising of 202 patients diagnosed with early-stage ENKTL from six medical centers. The observed best overall response rate was 96.0% and 168 (83.2%) patients achieved complete remission. With a median follow-up of 44.1 months, the 3-year progression-free survival (PFS) and overall survival (OS) were 74.6% and 85.2%, respectively. Multivariate analysis suggested that extensive primary tumor (PFS, hazard ratio [HR] 3.660, 95% CI 1.820-7.359, p < 0.001; OS, HR 3.825, 95% CI 1.442-10.148, p = 0.007) and Eastern Cooperative Oncology Group performance status ≥ 2 (PFS, 3.042, 95% CI 1.468-6.306, p = 0.003; OS, HR 3.983, 95% CI 1.678-9.457, p = 0.02) were independent prognostic factors for survival outcomes. Among the established prognostic models for ENKTL, the nomogram-revised risk index model had optimal prognostic risk stratification ability (PFS, p < 0.001; OS, p < 0.001) and relatively balanced population distribution. The adverse events of this CMT were well-tolerated and manageable. In conclusion, sequential P-GEMOX and radiotherapy showed favorable efficacy with acceptable toxicity, and could be an effective treatment option for early-stage ENKTL patients.

Diffusion and convection in nature.

We present the Topical Issue 'Diffusion and Convection in Nature'.

Entire crystallization process of Lennard-Jones liquids: A large-scale molecular dynamics study.

By using a graphics processing unit-accelerated parallel algorithm on a compute unified device architecture platform, we perform large-scale molecular dynamics simulations in a Lennard-Jones system to observe the entire crystallization process, including metastable stage, critical nuclei formation, and the stage of crystal growth. Although the intermediated precursors that play a role in determining the polymorphs are predominantly bcc ordered, the polymorph selection is rather different at different stages. The precursors that have a relatively high orientational order will be on average in a denser region than uniform liquids, but microscopically the crystal nucleation happens without a density change. The average density of nuclei first increases significantly, and then almost keeps independent on the crystallite size after the growing post-critical nucleus becomes large enough. With such a large enough system, the crystal growth rate is able to be calculated directly by doing a linear fit to the temporal evolution of growing crystallite size. The obtained value of the growth rate indicates that the actual crystal growth in the Lennard-Jones system where the crystal-liquid interface has several kinds of structures is possibly driven by both collision-controlled and diffusion-controlled mechanisms.

Determination of Bulk Modulus for a Colloidal Crystal with Highly Charged Particles by DC Electric Field.

In this study, bulk modulus of a colloidal crystal formed by highly charged particles is experimentally determined by applying direct current electric field. A theoretical expression is also proposed to independently predict the bulk modulus based on van't Hoff's law of osmotic pressure and the theory of Ohshima. The experimental result thus obtained agrees well with the theoretical expectation. In addition, results from both above-mentioned methods coincide with that inferred from the static structure factor.

Crystal nucleation and metastable bcc phase in charged colloids: A molecular dynamics study.

The dynamic process of homogenous nucleation in charged colloids is investigated by brute-force molecular dynamics simulation. To check if the liquid-solid transition will pass through metastable bcc, simulations are performed at the state points that definitely lie in the phase region of thermodynamically stable fcc. The simulation results confirm that, in all of these cases, the preordered precursors, acting as the seeds of nucleation, always have predominant bcc symmetry consistent with Ostwald's step rule and the Alexander-McTague mechanism. However, the polymorph selection is not straightforward because the crystal structures formed are not often determined by the symmetry of intermediate precursors but have different characters under different state points. The region of the state point where bcc crystal structures of large enough size are formed during crystallization is narrow, which gives a reasonable explanation as to why the metastable bcc phase in charged colloidal suspensions is rarely detected in macroscopic experiments.

Sr-HA-graft-Poly(γ-benzyl-l-glutamate) Nanocomposite Microcarriers: Controllable Sr2+ Release for Accelerating Osteogenenisis and Bony Nonunion Repair.

The microcarrier system offers an attractive method for cellular amplification and phenotype enhancement in the field of bone tissue engineering. However, it remains a challenge to fabricate porous microcarriers with osteoinductive activity for speedy and high-quality osseointegration in regeneration of serious complication of bone fracture, like nonunion. Here, we present a facile method for the first time manufacture microcarriers with osteogenic effects and properties based on well controlled and long-term Sr2+ release. At first, strontium-substituted hydroxyapatite was prepared (Sr-HA) and a novel Sr-HA-graft-poly(γ-benzyl-l-glutamate) (Sr-HA-PBLG) nanocomposite was synthesized. Then, the microcarriers with highly interconnected macropores were fabricated by a double emulsion method, which allowed cells to adhere and proliferate and secrete extracellular matrix. Besides, the microcarriers with a relatively uniform diameter of 271.5 ± 45.0 µm are feasible for injection. The Sr-HA-PBLG microcarriers efficiently promoted osteogenic gene expression in vitro. With injection of the Sr-HA-PBLG microcarriers loading adipose derived stem cells (ADSCs) into the nonunion sites, bone regeneration was observed at 8 weeks after injection in a mice model.

Crystallization Kinetics of Concurrent Liquid-Metastable and Metastable-Stable Transitions, and Ostwald's Step Rule.

Experimental measurements of colloidal crystallization in a wide range of volume fractions of charged particles were performed to investigate the liquid-metastable-stable transition process. To fit the obtained experimental data, we developed a theoretical model to formulate the kinetics of the concurrent liquid-metastable and metastable-stable transitions. This model is well-supported by our observations. We found that when the ratio of the metastable-stable transition rate to the liquid-metastable rate is very large, the metastable state can become undetectable, although it still exists, offering a possible explanation for very few exceptions to Ostwald's step rule.

Structural and dynamical anomalies of soft particles interacting through harmonic repulsions.

Molecular dynamics (MD) simulations are carried out to investigate the structural and dynamical anomalies in the core-softened fluid with harmonic repulsions. At sufficiently low temperature and densities, a general scaling relation between the Rosenfeld diffusivity DR and excess entropy Sex holds true because the ultrasoft particles tend to avoid overlapping and behave like effective hard spheres. When the temperature is increased high enough, the system acts as a weakly correlated mean-field fluid so that an alternative scaling relation between temperature scaled diffusion DT and Sex does work. Interestingly, the plots of DRversus two-body excess entropy S2 approximately collapse onto a single master curve despite the structural and dynamical anomalies, which has also been observed in other core-softened fluids with bounded potential.

Shear moduli in bcc-fcc structure transition of colloidal crystals.

Shear moduli variation in the metastable-stable structure transition of charged colloidal crystals was investigated by the combination techniques of torsional resonance spectroscopy and reflection spectrometer. Modulus of the system increases with the proceeding of the transition process and it finally reaches the maximum value at the end of the transition. For colloidal crystals in stable state, the experimental moduli show good consistence with theoretical expectations. However, in the transition process, the moduli are much smaller than theoretical ones and this can be chalked up to crystalline imperfection in the transition state.

A Combination of Genetic Algorithm and Particle Swarm Optimization for Vehicle Routing Problem with Time Windows.

A combination of genetic algorithm and particle swarm optimization (PSO) for vehicle routing problems with time windows (VRPTW) is proposed in this paper. The improvements of the proposed algorithm include: using the particle real number encoding method to decode the route to alleviate the computation burden, applying a linear decreasing function based on the number of the iterations to provide balance between global and local exploration abilities, and integrating with the crossover operator of genetic algorithm to avoid the premature convergence and the local minimum. The experimental results show that the proposed algorithm is not only more efficient and competitive with other published results but can also obtain more optimal solutions for solving the VRPTW issue. One new well-known solution for this benchmark problem is also outlined in the following.

Structural ordering and glass forming of soft spherical particles with harmonic repulsions.

We carry out dissipative particle dynamics simulations to investigate the dynamic process of phase transformation in the system with harmonic repulsion particles. Just below the melting point, the system undergoes liquid state, face-centered cubic crystallization, body-centered cubic crystallization, and reentrant melting phase transition upon compression, which is in good agreement with the phase diagram constructed previously via thermodynamic integration. However, when the temperature is decreased sufficiently, the system is trapped into an amorphous and frustrated glass state in the region of intermediate density, where the solid phase and crystal structure should be thermodynamically most stable.

A study on independently using static and dynamic light scattering methods to determine the coagulation rate.

Absolute coagulation rate constants were determined by independently, instead of simultaneously, using static and dynamic light scattering with the requested optical factors calculated by T-matrix method. The aggregating suspensions of latex particles with diameters of 500, 700, and 900 nm, that are all beyond validity limit of the traditional Rayleigh-Debye-Gans approximation, were adopted. The results from independent static and dynamic light scattering measurements were compared with those by simultaneously using static and dynamic light scattering; and three of them show good consistency. We found, theoretically and experimentally, that for independent static light scattering measurements there are blind scattering angles at that the scattering measurements become impossible and the number of blind angles increases rapidly with particle size. For independent dynamic light scattering measurements, however, there is no such a blind angle at all. A possible explanation of the observed phenomena is also presented.

The study on stage financing model of IT project investment.

Stage financing is the basic operation of venture capital investment. In investment, usually venture capitalists use different strategies to obtain the maximum returns. Due to its advantages to reduce the information asymmetry and agency cost, stage financing is widely used by venture capitalists. Although considerable attentions are devoted to stage financing, very little is known about the risk aversion strategies of IT projects. This paper mainly addresses the problem of risk aversion of venture capital investment in IT projects. Based on the analysis of characteristics of venture capital investment of IT projects, this paper introduces a real option pricing model to measure the value brought by the stage financing strategy and design a risk aversion model for IT projects. Because real option pricing method regards investment activity as contingent decision, it helps to make judgment on the management flexibility of IT projects and then make a more reasonable evaluation about the IT programs. Lastly by being applied to a real case, it further illustrates the effectiveness and feasibility of the model.

The Control of the Expansion or Compression of Colloidal Crystals Lattice with Salt Solution.

Tuning the lattice spacing or stop bands holds great significance in the design and application of materials with colloidal crystals. Typically, particle surface modifications or the application of external physical fields are needed. In this study, we demonstrated the ability to expand or compress the lattice of colloidal crystals simply by utilizing a salt solution, without the need for any special treatments to the colloidal particles. We found that by only considering the diffusiophoresis effect we cannot explain the reversion of lattice expansion to lattice compression with the increase in the salt concentration and that the diffusioosmotic flow originating from the container wall must be taken into account. Further analysis revealed that variations in the salt concentration altered the relative amplitudes between diffusiophoresis and diffusioosmosis through changing the zeta potentials of the particles and the wall, and the competition between the particle diffusiophoresis and wall diffusioosmosis lay at the center of the underlying mechanism.

Site selection and prediction of urban emergency shelter based on VGAE-RF model.

As urban development accelerates and natural disasters occur more frequently, the urgency of developing effective emergency shelter planning strategies intensifies. The shelter location selection method under the traditional multi-criteria decision-making framework suffers from issues such as strong subjectivity and insufficient data support. Artificial intelligence offers a robust data-driven approach for site selection; however, many methods neglect the spatial relationships of site selection targets within geographical space. This paper introduces an emergency shelter site selection model that combines a variational graph autoencoder (VGAE) with a random forest (RF), namely VGAE-RF. In the constructed urban spatial topological graph, based on network geographic information, this model captures both the latent features of geographic unit coupling and integrates explicit and latent features to forecast the likelihood of emergency shelters in the construction area. This study takes Beijing, China, as the experimental area and evaluates the reliability of different model methods using a confusion matrix, Receiver Operating Characteristic (ROC) curve, and Imbalance Index of spatial distribution as evaluation indicators. The experimental results indicate that the proposed VGAE-RF model method, which considers spatial semantic associations, displays the best reliability.

Influence of the surface charge on the homogeneity of colloidal crystals.

Five groups of suspensions composed of polystyrene particles, having similar size but different effective surface charge, were adopted to investigate the effects of surface charge and volume fraction on the homogeneity of colloidal crystals through checking the difference between D(exp) and D(uni) by reflection spectroscopy method (D(exp), D(uni) are the experimental and the expected value of the average nearest neighbor interparticle distance by assuming a uniform structure, respectively). We found volume fractions (ranging from 0.006 to 0.02) and structure types basically have no influence on the values of D(exp)/D(uni). Moreover, for crystals formed by lowly charged particles, D(exp)/D(uni) is approximately equal to 1, implying the crystals are homogeneous. With the increase of effective surface charge, D(exp) gradually deviates from D(uni) and the formed crystals become inhomogeneous. Our experimental observations are in accordance with the previous simulation results. Additionally, we also found D(exp)/D(uni) initially drops quickly with increasing effective surface charge and then it tends to an asymptotic value (~0.85), it is supposedly due to the saturation of effective charge. Our relevant computer simulations confirmed that the study scheme that using D(exp)/D(uni) as an indicator to assess the homogeneity of crystal structure is tenable and the simulation results are consistent with experiments.

Light Amplification in Fe-Doped CsPbBr3 Crystal Microwire Excited by Continuous-Wave Laser.

Electrically pumped halide perovskite laser diodes remain unexplored, and it is widely acknowledged that continuous-wave (CW) lasing will be a crucial step. Here, we demonstrate room-temperature amplified spontaneous emission of Fe-doped CsPbBr3 crystal microwire excited by a CW laser. Temperature-dependent photoluminescence spectra indicate that the Fe dopant forms a shallow level trap states near the band edge of the lightly doped CsPbBr3 microcrystal. Pump intensity-dependent time-resolved PL spectra show that the introduced Fe dopant level makes the electron more stable in excited states, suitable for the population inversion. The emission peak intensity of the lightly Fe-doped microwire increases nonlinearly above a threshold of 12.3 kW/cm2 under CW laser excitation, indicating a significant light amplification. Under high excitation, the uniform crystal structure and surface outcoupling in Fe-doped perovskite crystal microwires enhanced the spontaneous emission. These results reveal the considerable promise of Fe-doped perovskite crystal microwires toward low-cost, high-performance, room-temperature electrical pumping perovskite lasers.