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DOE OSTI2021

Coalescence and splashing threshold for head-on collisions of liquid metal nanodroplets

Head-on collisions of liquid metal nanodroplets in a vacuum are investigated through molecular dynamics simulations in order to determine the transition threshold between the coalescing and splashing regimes for six different materials (aluminum, calcium, cerium, gold, platinum, and tin). Droplets of various sizes and initial speeds are simulated, and it is found that the Reynolds and Ohnesorge numbers are able to predict the transition between the coalescing and splashing regimes. An energy balance for coalescing droplets shows that the initial energy is mainly converted to thermal energy increasing the temperature of the combined droplets by several hundred to several thousand kelvin depending on the material, and this result is confirmed in the simulations. Furthermore, when splashing occurs, the number of smaller droplets formed and the spreading rate are found to be dependent on the initial size and initial speed of the original droplets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Strain-Induced Growth of Twisted Bilayers during the Coalescence of Monolayer MoS 2 Crystals

Tailoring the grain boundaries (GBs) and twist angles between two-dimensional (2D) crystals are two crucial synthetic challenges to deterministically enable envisioned applications such as moiré excitons, emerging magnetism, or single-photon emission. Here, we reveal how twisted 2D bilayers can be synthesized from the collision and coalescence of two growing monolayer MoS 2 crystals during chemical vapor deposition. The twisted bilayer (TB) moiré angles are found to preserve the misorientation angle (θ) of the colliding crystals. The shapes of the TB regions are rationalized by a kink propagation model that predicts the GB formed by the coalescing crystals. Optical spectroscopy measurements reveal a θ-dependent long-range strain in crystals with stitched grain boundaries and a sharp (θ > 20°) threshold for the appearance of TBs, which relieves this strain. Reactive molecular dynamics simulations explain this strain from the continued growth of the crystals during coalescence due to the insertion of atoms at unsaturated defects along the GB, a process that self-terminates when the defects become saturated. The simulations also reproduce atomic-resolution electron microscopy observations of faceting along the GB, which is shown to arise from the growth-induced long-range strain. These facets align with the axes of the colliding crystals to provide favorable nucleation sites for second-layer growth of a TB with twist angles that preserve the misorientation angle θ. This interplay between strain generation and aligned nucleation provides a synthetic pathway for the growth of TBs with deterministic angles.

2D materials↗

DOE OSTI2021

Pressure Induced Assembly and Coalescence of Lead Chalcogenide Nanocrystals

We report here pressure induced nanocrystal coalescence of ordered lead chalcogenide nanocrystal arrays into one dimensional (1D) and 2D nanostructures. In particular, atomic crystal phase transitions and mesoscale coalescence of PbS and PbSe nanocrystals have been observed and monitored in-situ respectively by wide- and small-angle synchrotron X-ray scattering techniques. At the atomic scale, both nanocrystals underwent reversible structural transformations from cubic to orthorhombic at significantly higher pressures than those for the corresponding bulk materials. At the mesoscale, PbS nanocrystal arrays displayed a superlattice transformation from face-centered cubic to lamellar structures, while no clear mesoscale lattice transformation was observed for PbSe nanocrystal arrays. Intriguingly, transmission electron microscopy (TEM) showed that the applied pressure forced both spherical nanocrystals to coalesce into single crystalline 2D nanosheets and 1D nanorods. Our results confirm that pressure can be used as a straightforward approach to manipulate the interparticle spacing and engineer nanostructures with specific morphologies, and therefore provide insights into the design and functioning of new semiconductor nanocrystal structures under high-pressure conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

The role of breakup and coalescence in fine-scale bubble-induced turbulence. II. Kinematics

This second part of our research explores the kinematic aspect of fine-scale bubble-induced turbulence (BIT) to (i) present the effect of bubble breakup and coalescence and (ii) compare it against the universal kinematic fine-scale turbulence characteristics reported in the literature. To this end, we simulate a dilute bubbly system of 0.5% void fraction using two distinct numerical simulations. In the volume-of-fluid (VoF) simulation, bubbles undergo breakup and coalescence. In the immersed boundary method (IBM) simulation, however, they act as rigid spheres. We also perform a simulation of classical homogeneous isotropic turbulence (HIT). The first important outcome of this study is that BIT is radically different from HIT in terms of its kinematic fine-scale characteristics. In the vorticity-dominating regions, BIT exhibits a weak vortex stretching. This weak vortex stretching is due to (a) the intermediate strain-rate eigenvalues skewed weakly to positive and (b) the extensive strain-rate eigenvector aligning perpendicular to the vorticity vector. The BIT has, on average, not only a weak enstrophy production but also a weak strain production in strain-dominating regions. The weak strain production is due to (a) the presence of vortex stretching in highly strained fluid elements and (b) the absolute magnitude of compressive strain-rate eigenvalue being as close to the extensive strain-rate eigenvalue. Thus, none of the kinematic fine-scale HIT characteristics is noted for BIT. The second important conclusion is that bubble breakup and coalescence play little to no influence on the kinematics of fine-scale BIT as VoF and IBM simulations produce similar results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Charmed hadron production in an improved quark coalescence model

Here, we study the production of charmed hadrons $D^0$ and $Λ^+_c$ in relativistic heavy ion collisions using the charm quark coalescence. Besides taking into consideration changing hadron sizes in a hot dense medium, which results in an enhanced coalescence probability for charm quarks of very low transverse momenta, we also include the collective flow effect on heavier resonances, which leads to a shift of massive charmed resonances to larger transverse momenta. Including the conversion of charm quarks not undergoing coalescence to hadrons by independent fragmentation, we obtain a good description of the measured yield ratio $Λ^+_c/D^0$ as a function of transverse momentum in Au + Au collisions at $\sqrt{s_{\mathrm{NN}}}$ = 200 GeV by the STAR Collaboration at the Relativistic Heavy Ion Collider.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Energy dependence of light hypernuclei production in heavy-ion collisions from a coalescence and statistical-thermal model perspective

A comparison of light hypernuclei production, from Ultra-relativistic Quantum Molecular Dynamics (UrQMD)+coalescence and the thermal model, in heavy ion collisions over a wide range of beam energies and system sizes is presented. We find that both approaches provide generally similar results, with differences in specific details. Especially the ratios of hypertriton to Λ are affected by both the source radius Δr of the coalescence procedure as well as canonical effects. On the other hand, the double ratio S 3 is almost independent of canonical effects, which is in contrast to coalescence. Thus, both the beam energy dependence and centrality dependence of S 3 can be used to constrain the hypertriton source radius. To do so the currently available data are not yet sufficient. Elliptic flow is shown to be unaffected by the source size of the nuclei and an almost perfect mass scaling of the elliptic flow is observed. Furthermore, our predictions further suggest that the existence of the H-dibaryon(ΛΛ) seems ruled out by ALICE data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Coalescence dynamics of prismatic dislocation loops due to vacancy supersaturation

Recovery processes in metals with a high defect concentration are at the heart of a structural alloy's usability in engineering applications. However, such processes take place via nonconservative mechanisms mediated by point defect diffusion and are governed by their interactions with the underlying microstructure. Indeed, one of the main challenges in studying recovery processes is their intrinsic multiscale complexity, which often negates the direct use of experimental techniques. Here, in this Research Letter, we study the mechanism of dislocation loop coalescence in metals by simulating the interaction dynamics between vacancies and prismatic loops using a stochastic framework that seamlessly bridges point defect kinetics with dislocation mechanics. Our simulations reveal two fundamental discoveries: first, that climb processes are governed by local fluctuations that are not captured by continuum elastodiffusion models, and, second, that prismatic loops create internal traps for vacancies, leading to the formation of rings around the perimeter of the loops that affect how coalescence takes place. Our results show an excellent agreement with in situ experimental observations of loop coalescence in Fe under irradiation.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Geophysical Signatures of Crack Network Coalescence in Rocks at Multiple Length Scales

The main goal of the research project was to identify the geophysical signatures of fracture growth in natural rocks by utilizing novel geophysical techniques. The research objectives were to (a) investigate the potential for geophysical methods to determine when cracks initiate, the types and locations of propagated cracks, and the coalescence of networks of cracks in natural rocks at multiple scales, (b) determine how damage at the microscale evolved into damage at the macroscale and then link the microscopic and macroscopic observations, (c) quantify crack coalescence in rocks under realistic stress conditions using coupled mechanical-geophysical-optical visualization, and (d) identify the precursors in geophysical signals to crack coalescence. The following research thrusts were explored to achieve the research objectives: (1) uniaxial compression testing of rock specimens with and without a set of pre‐existing flaws and (2) triaxial compression testing of natural rock specimens. These thrusts allowed for exploring fracturing in rocks under realistic in situ environments and at multiple scales. This project provided educational opportunities for nine graduate and undergraduate students and resulted in 27 peer-reviewed publications. This first research thrust focused on investigating the micromechanics of fractures in rocks through uniaxial compression testing combined with advanced geophysical and imaging techniques, specifically acoustic emission (AE) monitoring, ultrasonic imaging, and 2-dimensional Digital Image Correlation (2D-DIC). By examining damage processes under time-independent and time-dependent loading conditions, insights into damage localization, crack initiation, and fracturing mechanisms were gained. It was observed that the AE signals and the strain-based measurements directly reflect the state of damage in the rock specimen and could be used to identify the cracking levels, such as the crack initiation (CI) and crack damage (CD), and the mode of deformation. A novel calibration apparatus was developed to enhance the accuracy of AE sensors, allowing for the estimation of key parameters such as magnitude, source dimension, stress drop, and radiated seismic energy associated with the fractures. The findings highlighted significant variations in the temporal evolution of AE source parameters during the primary, secondary, and tertiary stages of creep, identifying tensile cracking as the primary deformation mode. The second research thrust focused on enhancing the understanding of fracturing processes in natural rocks through triaxial compression testing, real-time AE monitoring, and ultrasonic monitoring. We investigated the impact of various factors such as fracture propagation regimes, injection parameters, rock types, and pre-existing conditions on the hydraulic fracture (HF) behavior using scaled true-triaxially loaded specimens of Barre granite and Lyons sandstone. Custom sensor housing facilitated concurrent active and passive monitoring to analyze hydro-mechanical responses and microseismicity associated with different HF scenarios. A coupled investigation of passive microseismicity and active signal attributes permitted a detailed comprehension of the various HF processes (aseismic deformation, fracture initiation and propagation, fluid permeation, and leak-off) and their dependence on the specific rock type. The findings of this research demonstrated the effectiveness of AE monitoring techniques in providing valuable insights into the impact of various factors on the behavior and dynamics of HF processes. The advancements in monitoring techniques, offering a more thorough and precise approach, represent a significant step towards optimizing HF practices and ensuring sustainable resource extraction.

58 GEOSCIENCES↗

NASA NTRS1984

Signatures of the coalescence instability in solar flares

Double sub-peak structures in the quasi periodic oscillations in the time profiles of solar flares in 1980 and 1982 are discussed. Computer simulations of the coalescence instability of two current loops agree with observations of the (widely differing) flares. The simultaneous accelerations of electrons and ions, and the double sub-peak structure in quasi periodic pulses are well explained. The double sub-peak structure is more pronounced when the currents in the two loops are sufficient for fast coalescence to occur. This corresponds to the 1980 flare. When the currents are insufficient for fast coalescence, the double sub-peak structure is less pronounced, as in the 1982 flare. Observations suggest the collision of the two microwave sources for the 1982 event. It is argued that this mechanism is a plausible particle acceleration mechanism in solar flares.

Nakajima, H.↗

NASA NTRS1987

Current loop coalescence model of solar flares

A computer simulation and theoretical study of the physical characteristics of the explosive coalescence of current-carrying loops is presented. Characteristics of the explosive coalescence include a large impulsive increase of the kinetic energies of electrons and ions, the simultaneous heating and acceleration of electrons and ions in high and low energy ranges, and a break in the energy spectra of electrons and ions. A characteristic double subpeak structure is found in the quasi-periodic oscillations found in the time profiles of the solar flares of June 7, 1980 and November 26, 1982 which can be explained in terms of the coalescence instability of two current loops.

Tajima, T.↗

NASA NTRS1989

The role of cometary particle coalescence in chemical evolution

Important prebiotic organic compounds might have been transported to earth in dust or produced in vapor clouds resulting from atmospheric explosions or impacts of comets. These compounds coalesced in the upper atmosphere with particles ejected from craters formed by impacts of large objects. Coalescence during exposure to UV radiation concentrated organic monomers and enhanced formation of oligomers. Continuing coalescence added material to the growing particles and shielded prebiotic compounds from prolonged UV radiation. These particles settled into the lower atmosphere where they were scavenged by rain. Aqueous chemistry and evaporation of raindrops containing monomers in high temperature regions near the earth's surface also promoted continued formation of oligomers. Finally, these oligomers were deposited in the oceans where continued prebiotic evolution led to the most primitive cell. Results of present studies suggest that prebiotic chemical evolution may be an inevitable consequence of impacting comets during the late accretion of planets anywhere in the universe if oceans remained on those planetary surfaces.

Oberbeck, V. R.↗

NASA NTRS1992

The coalescence instability in collisionless plasmas

The process whereby magnetic island structures tend to merge into larger units is known as magnetic island coalescence. This coalescence process is investigated for the case of a collisionless plasma by means of 2D particle simulations. The pairwise merging of a preformed island chain leads to a gentle redistribution of the density and current density profiles. The nonlinear evolution of the collisionless tearing instability in a long system is found to lead to a much more violent coalescence process resulting in the formation of a vacuum X region. This stage is characterized by enhanced growth rates for the long-wavelength modes that exceed the maximum linear tearing growth rate, super-Alfvenic flows away from the reconnection X line, substantial bulk heating in the parallel direction, and the formation of energetic particle tails in the direction of the inductive electric field.

Pritchett, P. L.↗

NASA NTRS1993

Bubble coalescence in magmas

The most important factors governing the nature of volcanic eruptions are the primary volatile contents, the ways in which volatiles exsolve, and how the resulting bubbles grow and interact. In this contribution we assess the importance of bubble coalescence. The degree of coalescence in alkali basalts has been measured using Image Analysis techniques and it is suggested to be a process of considerable importance. Binary coalescence events occur every few minutes in basaltic melts with vesicularities greater than around 35 percent.

Herd, Richard A.↗

NASA NTRS1993

Current loop coalescence studied by 3-D electromagnetic particle code

Solar flare plasma data from the Yohkoh satellite is analyzed. The interactions of current loops were observed in the active regions on the Sun. This observation pointed out the importance of the idea that the solar flare is generated by the coalescence of current loops. The three dimensional electromagnetic particle simulations are to help in understanding the global interaction between two current loops including the evolution of the twist of loops due to instabilities. Associated rapid dynamics of current loop coalescence such as reconnection, shock waves and associated kinetic processes such as energy transfer, acceleration of particles, and electromagnetic emissions are to be studied by the code to complement analytical theories and magnetohydrodynamic simulations of the current loop coalescence. The simulation results show the strong interactions between two current loops, beam and whistler instabilities, and associated parallel and perpendicular particle heating.

Nishikawa, Ken-Ichi↗

NASA NTRS1996

Non-Coalescence Effects in Microgravity

It has been observed experimentally that two drops (or a single drop and a planar surface) of the same liquid can be made to resist coalescence under certain conditions which lead to relative motion of the interfaces. Such relative motion may be brought about through the mechanism of thermocapillarity of forced convection motion of one of the interfaces. Such non-coalescence phenomena have been observed to persist for hours, indicative of the stability of the phenomena. This stability, in turn, implies that such non-coalescence may be put to use in a microgravity environment. One potential application is the development of easily formed, low friction, self-centering bearings for microgravity experimentation.

Neitzel, G. Paul↗

NASA NTRS1997

Non-Coalescence Effects in Microgravity

Non-coalescence of two bodies of the same liquid and the suppression of contact between liquid drops and solid surfaces is being studied through a pair of parallel investigations being conducted at the Georgia Institute of Technology and the Microgravity Research and Support (MARS) Center in Naples, Italy. Both non-coalescence and contact suppression are achieved by exploiting the mechanism of thermocapillary convection to drive a lubricating film of surrounding gas (air) into the space between the two liquid free surfaces (non-coalescence) or between the drop free surface and the solid (contact suppression). Experiments performed to date include flow visualization experiments in both axisymmetric and (nearly) two-dimensional geometries and quantitative measurements of film thickness in the contact-suppression case in both geometries.

Neitzel, G. Paul↗

NASA NTRS1997

Non-Coalescence Effects in Microgravity

Neitzel, G. Paul↗

NASA NTRS1999

Non-Coalescence Effects in Microgravity

Forced non-coalescence between two bodies of the same liquid may be achieved by a variety of means, all of which provide relative tangential motion of the adjacent free-surfaces. This motion serves to provide a lubricating film of the surrounding gas to the gap which prevents the liquid surfaces from coming into contact. One means of forcing non-coalescence is to use thermocapillarity to drive the lubricating film by having the liquids at different temperatures. This paper will examine a number of scenarios of non-coalescence behavior, both qualitatively and quantitatively, and describe some envisioned applications of the phenomenon which may have relevance in both microgravity and terrestrial environments.

Neitzel, G. P.↗