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At least 649 records · Page 36

Distinct Contributions of Ice Nucleation, Large-Scale Environment, and Shallow Cumulus Detrainment to Cloud Phase Partitioning With NCAR CAM5

Mixed-phase clouds containing both liquid droplets and ice particles occur frequently at high latitudes and in the midlatitude storm track regions. Simulations of the cloud phase partitioning between liquid and ice hydrometeors in state-of-the-art global climate models are still associated with large biases. For this study, the phase partitioning in terms of liquid mass phase ratio (MPR liq , defined as the ratio of liquid mass to total condensed water mass) simulated from the NCAR Community Atmosphere Model version 5 (CAM5) is evaluated against the observational data from A-Train satellite remote sensors. Modeled MPR liq is significantly lower than observations on the global scale, especially in the Southern Hemisphere (e.g., Southern Ocean and the Antarctic). Sensitivity tests with CAM5 are conducted to investigate the distinct contributions of heterogeneous ice nucleation, shallow cumulus detrainment, and large-scale environment (e.g., winds, temperature, and water vapor) to the low MPR liq biases. Our results show that an aerosol-aware ice nucleation parameterization increases the MPR liq especially at temperatures colder than -20°C and significantly improves the model agreements with observations in the Polar regions in summer. The decrease of threshold temperature over which all detrained cloud water is liquid from 268 to 253 K enhances the MPR liq and improves the MPR liq mostly over the Southern Ocean. By constraining water vapor in CAM5 toward reanalysis, modeled low biases in many geographical regions are largely reduced through a significant decrease of cloud ice mass mixing ratio.

47 OTHER INSTRUMENTATION↗

Nucleation and Growth of Blue Phase 3D Cubic Structure Under Continuously Changing Curved Boundary Conditions

The blue phase of liquid crystals (BPLCs) with a cubic lattice of disclination lines and 3D nanostructure enables the modulation of photonic bandgap thus casting them in the category of photonic crystals. Its unique nature promises applications in display technologies, electro‐optics, and sensors. To integrate these ordered materials into wearable devices a fundamental understanding of curvature, and spatial confinement is necessary. Although continuous confinement in flat geometries have been studied, confining curvature has shown to induce strong destabilization effects on the cubic structure and formation of topological defects, thereby deteriorating their optical performance. Moreover, limitations in controlling the curvature of droplets further hinder studies of nucleation and growth of BPLCs. Here, to address these challenges, micro‐scale patterned surfaces of concentric cylinders are exploited to systematically control curvatures. The impact of curvature on the confined BPLCs is revealed in terms of phase transition temperature, nucleation and growth, morphology, as well as phase transformation. This research offers valuable insights into the stability, and structural characteristics of BPLCs in adaptive photonic devices, paving the way for future advancements in flexible displays, sensors, and other technologies leveraging liquid crystal (LC) materials.

3D Cubic Structure↗

Enhanced Nucleation of Atomic Layer Deposited Contacts Improves Operational Stability of Perovskite Solar Cells in Air

Metal-halide perovskites show promise as highly efficient solar cells, light-emitting diodes, and other optoelectronic devices. Ensuring long-term stability is now a major priority. In this study, an ultrathin (2 nm) layer of polyethylenimine ethoxylated (PEIE) is used to functionalize the surface of C 60 for the subsequent deposition of atomic layer deposition (ALD) SnO 2 , a commonly used electron contact bilayer for p-i-n devices. The enhanced nucleation results in a more continuous initial ALD SnO 2 layer that exhibits superior barrier properties, protecting Cs 0.25 FA 0.75 Pb(Br 0.20 | 0.80 ) 3 films upon direct exposure to high temperatures (200 degrees C) and water. This surface modification with PEIE translates to more stable solar cells under aggressive testing conditions in air at 60 degrees C under illumination. This type of 'built-in' barrier layer mitigates degradation pathways not addressed by external encapsulation, such as internal halide or metal diffusion, while maintaining high device efficiency up to 18.5%. This nucleation strategy is also extended to ALD VOx films, demonstrating its potential to be broadly applied to other metal oxide contacts and device architectures.

14 SOLAR ENERGY↗

Localized Heterogeneous Nucleation for Vapor‐Assisted Sequential Deposition of Metal Halide Perovskites

Vapor-assisted hybrid two-step deposition, which combines thermally evaporated inorganic layers with solution-processed organic halides to form halide perovskites, has emerged as a scalable and industry-compatible route for textured tandem photovoltaics. However, this process is often hindered by reaction-limited phase formation, particularly when compact, non-porous, and highly crystalline inorganic layers formed by thermal evaporation restrict subsequent conversion, resulting in incomplete reaction and pronounced depth-dependent heterogeneity. In this study, we introduce a strategy to regulate the inorganic precursor layer by incorporating localized heterogeneous nucleation sites. Sparsely distributed hydrophilic metal oxide species serve as effective nucleation centers during vapor deposition, enabling effective control over film morphology and crystal orientation from the early stages of growth. This tailored inorganic framework facilitates the subsequent incorporation of organic halides, alleviating reaction limitations and suppressing residual unreacted precursors. Consequently, the perovskite films exhibit improved stoichiometric uniformity and enhanced optoelectronic quality, enabling wide-bandgap perovskite solar cells with markedly improved performance and operational stability. This work provides important mechanistic insight into crystal growth engineering of vapor-deposited perovskite thin films.

nucleation↗

Temperature-Dependent Nucleation and Growth of Dendrite-Free Lithium Metal Anodes

It is essential to develop a facile and effective method to enhance the electrochemical performance of lithium metal anodes for building high–energy–density Li–metal based batteries. Herein, we explored the temperature–dependent Li nucleation and growth behavior and constructed a dendrite–free Li metal anode by elevating temperature from room temperature (20 °C) to 60 °C. A series of ex situ and in situ microscopy investigations demonstrate that increasing Li deposition temperature results in large nuclei size, low nucleation density, and compact growth of Li metal. We reveal that the enhanced lithiophilicity and the increased Li–ion diffusion coefficient in aprotic electrolytes at high temperature are essential factors contributing to the dendrite–free Li growth behavior. In conclusion, as anodes in both half cells and full cells, the compact deposited Li with minimized specific surface area delivered high Coulombic efficiencies and long cycling stability at 60 °C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multi–Step Nucleation of a Crystalline Silicate Framework via a Structurally Precise Prenucleation Cluster

Hierarchical nucleation pathways are ubiquitous in the synthesis of minerals and materials. In the case of zeolites and metal–organic frameworks, pre-organized multi-ion “secondary building units” (SBUs) have been proposed as fundamental building blocks. However, detailing the progress of multi-step reaction mechanisms from monomeric species to stable crystals and defining the structures of the SBUs remains an unmet challenge. Furthermore, combining in situ nuclear magnetic resonance, small-angle X-ray scattering, and atomic force microscopy, we show that crystallization of the framework silicate, cyclosilicate hydrate, occurs through an assembly of cubic octameric Q 3 8 polyanions formed through cross-linking and polymerization of smaller silicate monomers and other oligomers. These Q 3 8 are stabilized by hydrogen bonds with surrounding H 2 O and tetramethylammonium ions (TMA + ). When Q 3 8 levels reach a threshold of ≈32 % of the total silicate species, nucleation occurs. Further growth proceeds through the incorporation of [(TMA) x (Q 3 8 )•n H 2 O] (x–8) clathrate complexes into step edges on the crystals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

HRTEM Imaging and Mechanistic Insights Into Carbon Nanotube Nucleation and Growth on Fe Nanocatalysts in a Thermal Plasma

Thermal plasma decomposition of natural gas is a scalable pathway for the production of hydrogen alongside high-value carbon nanotubes (CNTs). Metals evaporate from an electrode and condense to form seed nanoparticles that nucleate and grow CNTs. However, the lack of mechanistic understanding of the CNT nucleation and growth processes in thermal plasma makes control over CNT diameter, chirality, length, and yield difficult. We debundled and separated CNTs from soots produced using iron (Fe) nanocatalysts, and distributed them on monolayer graphene for high-resolution transmission electron microscopy (HRTEM) imaging to gain mechanistic insights. Full graphene encapsulation was found for relatively small Fe nanoparticles that were molten at high temperatures. Zigzag single-wall or double-wall CNTs (SWCNTs or DWCNTs) appeared to have grown out directly from the graphene covering on the conical or cylindrical bodies of small molten Fe nanodroplets with high curvature. Also, SWCNTs likely grew out from H- or O-atom etched single-wall carbon nanocones observed on conical Fe nanoparticles. A SWCNT/DWCNT could also be generated from the cracked opening of the graphene covering on a face-centered cubic (FCC) Fe nanoparticle. A simple, plausible pathway is proposed for the growth of an open, H-passivated, zigzag SWCNT involving reaction of CH 2 and CH radicals at high temperatures.

Fe nanocatalysts↗

Nucleation and growth of chimney pores during electron-beam additive manufacturing

The nucleation and growth of chimney pores during powder-bed, electron-beam additive manufacturing is investigated using in-situ infrared thermography as well as microcomputed tomography of as-printed parts. The pores are found to nucleate at dimples on the part s surface, clearly demonstrating how process parameters can affect surface roughness, which can in turn affect the internal defect structure in an additive manufactured part. Based on the results of this study, several strategies for suppressing the formation of chimney pores are discussed.

43 PARTICLE ACCELERATORS↗

Effect of a Stepped Si(100) Surface on the Nucleation Process of Ge Islands

Nucleation of Ge islands on a stepped Si(100) surface is studied. It is shown by diffraction of fast electrons that at a temperature of 600°C, constant flux of Si, and deposition rate of 0.652 Å/s, a series of the 1×2 superstructure reflections completely disappears, if the Si (100) substrate deviated by an angle of 0.35° to the (111) face is preliminarily heated to 1000°C. The disappearance of the 1×2 superstructure reflexes is due to the transition from the surface with monoatomic steps to that with diatomic ones. Investigations of the Ge islands’ growth were carried out on the Si(100) surface preliminarily annealed at temperatures of 800 and 1000°C. It is shown that the islands tend to nucleate at the step edges.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

In Situ Observation of the Nucleation and Growth of Ferrite Laths in the Heat-Affected Zone of EH36-Mg Shipbuilding Steel Subjected to Different Heat Inputs

The nucleation and growth behaviors of ferrite laths in the heat-affected zone (HAZ) of EH36-Mg shipbuilding steel with different heat inputs were observed in situ by high-temperature confocal scanning laser microscope (CSLM). It was found that ferrite laths prefer to nucleate on the surface of inclusions instead of grain boundaries under the heat input of 120 kJ/cm, while FSPs are easier to form in 210 kJ/cm due to a significantly reduced cooling rate.

36 MATERIALS SCIENCE↗

Ab Initio Analysis of Guinier–Preston–Bagaryatsky Zone Nucleation in Al-Cu-Mg Alloys

Due to the inherit difficulties associated with microstructure characterization in the early stages of aging, the origin of rapid hardening in Al-Cu-Mg alloys remains a poorly understood and controversial issue. This works addresses the precipitation processes in the early stages by ab-initiomodeling of GPB zone nucleation. We derive the structural nature of GPB zone nuclei and establish that the nucleation starts with 1D-GPB1 crystals, which represent thermodynamically stable configurations at the size scale previously associated only with solute clusters. It is also established that the 1D-GPB1 can form very rapidly due a simple structural transition from FCC based configurations (clusters). The formation of GPB zones in the early stages of aging is validated by comparison with previous experimental measurements. Based on previous experimental evidence, it is postulated that GPB zones rather than solute clusters may be able to rationalize the rapid hardening in the Al-Cu-Mg alloys.

36 MATERIALS SCIENCE↗

Oxide nucleation via threshold-driven volume instability in Ni oxidation

Oxide nucleation dictates the onset of metal oxidation, yet the atomistic pathways bridging initial oxygen adsorption to bulk phase transformation remain elusive. Here, we utilize in-situ atomic-resolution imaging to directly capture the nucleation of nickel oxide, revealing a threshold-driven, cooperative transformation of Ni into NiO. Our observations identify a distinct incubation period during which oxygen progressively accumulates in subsurface layers. Once a critical concentration and penetration depth are reached, a collective lattice reconfiguration is triggered, abruptly converting multiple Ni layers into NiO. Atomistic simulations corroborate this mechanism, identifying a cooperative lattice instability induced by subsurface oxygen saturation. These results establish subsurface oxygen incorporation as the missing mechanistic link between surface adsorption and three-dimensional oxide formation, providing an atomistic framework to understand and control reactive phase transformations in materials synthesis, catalysis, and degradation.

36 MATERIALS SCIENCE↗

A facile approach for site-selective and large-area growth of MoS 2 through heterogeneous nucleation

Heterogeneous nucleation could be an effective approach to producing an array of transition metal dichalco-genides (TMDs) at controlled locations on a substrate. In this study, we prepared Pt mesa structures on the substrate to induce heterogeneous nucleation of MoS 2 during chemical vapor deposition (CVD) and investigated the adsorption of nuclei using Monte Carlo (MC) simulations. The MC simulations suggest that the site-selectivity of MoS 2 dramatically drops when the CVD growth time goes beyond the critical time at which nuclei fully cover the Pt mesas, and such critical time can be delayed when the size of Pt mesas increases. Our experimental observations on a clean array of MoS 2 successfully synthesized on 10 um-width square Pt mesas but not on 4 um -width square Pt mesas support the MC simulation. We further designed a simple method employing dummy substrates to increase the yield of the site-selective MoS 2 array. Computational fluid dynamics (CFD) simulation reveals that such dummy substrates restrict the precursor concentration and provide a confined channel for the precursors to react slowly, which benefits producing large-area and site-selective MoS 2 . Furthermore, compared with conventional CVD, the total coverage of site-selective MoS 2 has enlarged by seven times using dummy substrates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Dependence of Nucleation Density on the Bias Voltage in the Growth of High Quality Thick Heteroepitaxial Diamond Films on Ir/YSZ/Si(100) Substrates Using Microwave Plasma Chemical Vapor Deposition

We report nucleation densities on Ir(100) surfaces that exceed 1011 cm-2 and remain roughly unchanged in a narrow bias voltage range of 50 V starting at 125 V. At lower and higher bias voltages outside of this window the nucleation density drops to values near zero within a 25 V step and remains independent of the bias voltage. We attribute this extreme sensitivity to a delicate nanostructured active Ir phase that is both formed and destroyed by ion bombardment with specific energies. The role of this phase is to mediate the formation of chemically specific carbon that is the precursor for diamond crystallite formation in the subsequent bias free growth stage.

36 MATERIALS SCIENCE↗

Nucleate boiling performance evaluation of cavities at mesoscale level

Nucleate boiling heat transfer (NBHT) from enhanced structures is an effective way to dissipate high heat flux. Here, a 3D multi-relaxation-time (MRT) phase-change lattice Boltzmann method in conjunction with conjugated heat transfer treatment is proposed and then applied to the study of cavities behaviours for nucleation on roughened surfaces for an entire ebullition cycle without introducing any artificial disturbance. The bubble departure diameter, departure frequency and total boiling heat transfer rate are also explored. We demonstrate that the cavity shapes show significant influence on the features of NBHT. The total heat transfer rate increases with the cavity mouth and cavity base area while decreases with the increase in cavity bottom wall thickness. The cavity with low wetting can enhance the heat transfer and improve the bubble release frequency.

42 ENGINEERING↗

Nucleate pool boiling of R-245fa at low saturation temperatures for hydrogen precooling applications

In this study, experiments were conducted to measure the pool boiling performance of saturated R-245fa at low saturation temperatures (-30 degrees C, -40 degrees C, and -50 degrees C). Horizontally oriented cylindrical heat sources were used as the test samples and were intended to simulate a small section of a hydrogen-filled tube. Measurements evaluated the effects of saturation temperature and two microporous coatings on heat transfer coefficients (HTC), critical heat flux (CHF), and boiling incipient superheat. Results show that boiling performance decreases as the saturation temperature reduces - a result of less active nucleation sites and higher vapor coverage of the heated surface at lower temperatures. Microporous coatings increased HTCs and CHF values, but did not have a significant effect on reducing the boiling incipient superheat. Finally, the experimental results were used to develop correlations for nucleate pool boiling on plain and microporous surfaces that can be used to predict HTCs and CHF values at low saturation temperature conditions (down to -50 degrees C).

08 HYDROGEN↗

Nucleation and growth of PbSeO 3 , Pb 3 (CO 3 ) 2 (OH) 2 , and Se on the PbSe surfaces by decomposing PbSe in water

PbSe materials are widely researched and utilized in visible-infrared photodetectors, displays, transistors, thermoelectric devices, and photovoltaics. However, the instability of PbSe limits practical utilization. The decomposition mechanisms of PbSe needs to be clarified for guiding targeted design to improve its stability. Here, we studied the decomposition process of PbSe in water, which is exposed to air, by using ex-situ and semi in situ transmission electron microscope (TEM), energy-dispersive X-ray spectroscopy (EDS), X-ray diffraction (XRD), and electron tomography reconstruction (ETR). We found that, besides water molecules, PbSe particles also react with O 2 and CO 2 that are adsorbed in water from air. Pd 3 (CO 3 ) 2 (OH) 2 , PbSeO 3 , and Se nucleate and grow on the surface of PbSe powders. This work provides understanding of the mechanism of materials nucleation, growth, and decomposition. Furthermore, the findings can be used as a reference to improve the stability and lifetime of PbSe devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Monte Carlo method for the simulation of coagulation and nucleation based on weighted particles and the concepts of stochastic resolution and merging

Monte Carlo simulations based on weighted simulation particles can solve a variety of population balance problems and allow thus to formulate a solution-framework for many chemical engineering processes. This study presents a novel concept for the calculation of coagulation rates of weighted Monte Carlo particles by introducing a family of transformations to non-weighted Monte Carlo particles. The tuning of the accuracy (named ‘stochastic resolution’ in this paper) of those transformations allows the construction of a constant-number coagulation scheme. Furthermore, a parallel algorithm for the inclusion of newly formed Monte Carlo particles due to nucleation is presented in the scope of a constant-number scheme: the low-weight merging. This technique is found to create significantly less statistical simulation noise than the conventional technique (named ‘random removal’ in this paper). Both concepts are combined into a single GPU-based simulation method which is validated by comparison with the discrete-sectional simulation technique. Two test models describing a constant-rate nucleation coupled to a simultaneous coagulation in 1) the free-molecular regime or 2) the continuum regime are simulated for this purpose.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗