Evolution of particle-laden jet flows - A theoretical and experimental study
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Mostafa, A. A.↗
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Instabilities in rotating channel flow
A combination of linear, weakly nonlinear, and secondary stability theories has been used to study the transition process in rotating channel flow. Results for parts of the theory have been confirmed by direct numerical simulations. Preliminary results indicate that the theory can help explain some experimental observations regarding the evolution of streamwise vortices.
Ng, Lian↗
Splashing Droplets
Current data on droplet breakup is scarce for the sizes and velocities typical of practical applications such as in spray combustion processes and coating processes. While much more representative of practical applications, the small spatial scales and rapid time-scales prevent detailed measurement of the internal fluid dynamics and liquid property gradients produced by impinging upon surfaces. Realized through the extended spatial and temporal scales afforded by a microgravity environment, an improved understanding of drop breakup dynamics is sought to understand and ultimately control the impingement dynamics of droplets upon surfaces in practical situations. The primary objective of this research will be to mark the onset of different 'splashing modes' and to determine their temperature, pressure and angle dependence for impinging droplets representative of practical fluids. In addition, we are modeling the evolution of droplets that do not initially splash but rather undergo a 'fingering' evolution observed on the spreading fluid front and the transformation of these fingers into splashed products. An example of our experimental data is presented below. These images are of Isopar V impacting a mirror-polished surface. They were acquired using a high-speed camera at 1000 frames per second. They show the spreading of a single droplet after impact and ensuing finger instabilities. Normal gravity experimental data such as this will guide low gravity measurements in the 2.2 second drop tower and KC-135 aircraft as available. Presently we are in the process of comparing the experimental data of droplet shape evolution to numerical models, which can also capture the internal fluid dynamics and liquid property gradients such as produced by impingement upon a heated surface. To-date isothermal numerical data has been modeled using direct numerical simulations of representative splashing droplets. The data obtained so far indicates that the present model describes well the droplet wall interactions to a point in time just before splash. Additional information is included in the original extended abstract.
VanderWal, Randall L.↗
Investigation of Dynamic Oxygen Adsorption in Molten Solder Jetting Technology
Surface tension forces play a critical role in fluid dynamic phenomena that are important in materials processing. The surface tension of liquid metals has been shown to be very susceptible to small amounts of adsorbed oxygen. Consequently, the kinetics of oxygen adsorption can influence the capillary breakup of liquid-metal jets targeted for use in electronics assembly applications, where low-melting-point metals (such as tin-containing solders) are utilized as an attachment material for mounting of electronic components to substrates. By interpreting values of surface tension measured at various surface ages, adsorption and diffusion rates of oxygen on the surface of the melt can be estimated. This research program investigates the adsorption kinetics of oxygen on the surface of an atomizing molten-metal jet. A novel oscillating capillary jet method has been developed for the measurement of dynamic surface tension of liquids, and in particular, metal melts which are susceptible to rapid surface degradation caused by oxygen adsorption. The experimental technique captures the evolution of jet swells and necks continuously along the jet propagation axis and is used in conjunction with an existing linear, axisymmetric, constant-property model to determine the variation of the instability growth rate, and, in turn, surface tension of the liquid as a function of surface age measured from the exit orifice. The conditions investigated so far focus on a time window of 2-4ms from the jet orifice. The surface properties of the eutectic 63%Sn-37%Pb solder alloy have been investigated in terms of their variation due to O2 adsorption from a N2 atmosphere containing controlled amounts of oxygen (from 8 ppm to 1000 ppm). The method performed well for situations where the oxygen adsorption was low in that time window. The value of surface tension for the 63Sn-37Pb solder in pure nitrogen was found to be 0.49 N/m, in good agreement with previously published work. A characteristic time of O(1ms) or less was determined for the molten-metal surface to be saturated by oxygen at 1000 ppm concentration in N2.
Megaridis, Constantine M.↗
Small Ion Channel Linking Molecular Simulations and Electrophysiology
Ion channels are pore-forming protein assemblies that mediate the transport of small ions across cell membranes. Otherwise, membrane bilayers would be almost impermeable to ions incapable to traverse the low dielectric constant, hydrophobic membrane core. Ion channels are ubiquitous to all life forms. In humans and other higher organisms they play the central role in conducting nerve impulses, cardiac functions, muscle contraction and apoptosis. On the other extreme of biological complexity, viral ion channels (viroporins) influence many stages of the virus infection cycle either through regulating virus replication, such as entry, assembly and release or modulating the electrochemical balance in the subcellular compartments of host cells. Ion channels were crucial components of protocells. Their emergence facilitated adaptation of nascent life to different environmental conditions. The earliest ion channels must have been much simpler than most of their modern ancestors. Viral channels are among only a few naturally occurring models to study the structure, function and evolution of primordial channels. Experimental studies of these properties are difficult and often unreliable. In principle, computational methods, and molecular dynamics (MD) simulations in particular, can aid in providing information about both the structure and the function of ion channels. However, MD suffers from its own problems, such as inability to access sufficiently long time scales or limited accuracy of force fields. It is, therefore, essential to determine the reliability of MD simulations. We propose to do so on the basis of two criteria. One is channel stability on time scales that extend for several microseconds or longer. The other is the ability to reproduce the measured ionic conductance as a function of applied voltage. If both the stability and the calculated ionic conductance are satisfactory it will greatly increase our confidence that the structure and the function of a channel are described sufficiently accurately. To our knowledge, long time scale stability (approx.10 micro-sec) and the correct electrophysiology have been shown so far for only one channel - the synthetic LS3 hexamer). In this presentation, this approach will be discussed in application to two viral channels - Vpu, encoded by the HIV-1 genome and p7 of hepatitis C.
Pohorille, Andrzej↗
Defining the Petrology of Pseudotachylytes in Ordinary Chondrites: An Experimental and Deductive Approach
Evidence for deformation in ordinary chondrites suggests that meteorite evolution involves high strain-rate processes. Unexpected experimental results and an analysis of physical properties of chondrite minerals supports and defines this contention.
vanderBogert, C. H.↗
Phase Field Informed Monte Carlo Texture Evolution Models for Additive Manufacturing: Microstructure Simulation and the Need for Experimental Grain Competition Data
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Additive Manufacturing, Powder Bed Fusion, Inconel↗
Theoretical Prediction and Experimental Verification of IrO x Supported on Titanium Nitride for Acidic Oxygen Evolution Reaction
Reducing iridium (Ir) catalyst loading for acidic oxygen evolution reaction (OER) is a critical strategy for large-scale hydrogen production via proton exchange membrane (PEM) water electrolysis. However, simultaneously achieving high activity, long-term stability, and reduced material cost remains challenging. To address this challenge, we develop a frame-work by combining density functional theory (DFT) prediction using model surfaces and proof-of-concept experimental ver-ification using thin films and nanoparticles. DFT results predict that oxidized Ir monolayers over titanium nitride (IrO x /TiN) should display higher OER activity than IrO x while reducing Ir loading. Further, this prediction is verified by depositing Ir monolayers over TiN thin films via physical vapor deposition. The promising thin film results are then extended to commercially viable powder IrO x /TiN catalysts, which demonstrate a lower overpotential and higher mass activity than commercial IrO 2 , and a long-term stability of 250 hours to maintain a current density of 10 mA cm -2 . The superior OER performance of IrO x /TiN is further confirmed using proton exchange membrane water electrolyzer (PEMWE), which shows a lower cell voltage than commercial IrO 2 to achieve a current density of 1 A cm -2 . Both DFT and in situ X-ray absorption spectroscopy reveal that the high OER performance of IrO x /TiN strongly depends on the IrO x - TiN interaction via direct Ir-Ti bonding. This study highlights the importance of close interaction between theoretical prediction based on mechanistic understanding and experimental verification based on thin film model catalysts to facilitate the development of more practical powder IrO x /TiN catalysts with high activity and stability for acidic OER.
08 HYDROGEN↗
Future planetary television cameras
The evolution of planetary slow-scan vidicon cameras started with the exploratory flyby mission to Mars in 1965, and has continued through the planned launch of the Mariner Jupiter/Saturn 1977 Mission. To date, the camera performance has been constrained by limited spacecraft capabilities rather than driven by desires of experimenters. The paper traces this evolution for a generation of camera using charge-coupled device (CCD) sensors, which have greater capability within spacecraft weight and power constraints. Projections are given of scientific objectives for the CCD cameras, and it is shown how these objectives will drive the camera performance, data rates, on-board processing, pointing accuracy, and other spacecraft system parameters.
Norris, D. D.↗
Autonomous Evolution of Dynamic Gaits with Two Quadruped Robots
A challenging task that must be accomplished for every legged robot is creating the walking and running behaviors needed for it to move. In this paper we describe our system for autonomously evolving dynamic gaits on two of Sony's quadruped robots. Our evolutionary algorithm runs on board the robot and uses the robot's sensors to compute the quality of a gait without assistance from the experimenter. First we show the evolution of a pace and trot gait on the OPEN-R prototype robot. With the fastest gait, the robot moves at over 10/min/min., which is more than forty body-lengths/min. While these first gaits are somewhat sensitive to the robot and environment in which they are evolved, we then show the evolution of robust dynamic gaits, one of which is used on the ERS-110, the first consumer version of AIBO.
Hornby, Gregory S.↗
Self-Pressurization of a Flightweight, Liquid Hydrogen Tank: Simulation and Comparison with Experiments
This paper presents ANSYS Fluent simulation results and analysis for self-pressurization of a flightweight, cryogenic, liquid hydrogen tank in 1-g. These results are compared with experimental data, in particular, pressure evolution and temperature measurements at a set of sensors. The simulations can be analyzed to identify and quantify heat flows in the tank. Heat flows change over time and influence the self-pressurization process. The initial rate of self-pressurization is sensitive to the initial temperature profile near the interface. Uncertainty in saturation pressure data and the accuracy of experimental measurements complicate simulation of self-pressurization. Numerical issues encountered, and their resolution, are also explained.
computational fluid mechanics↗
The free-electron laser - Maxwell's equations driven by single-particle currents
It is shown that if single particle currents are coupled to Maxwell's equations, the resulting set of self-consistent nonlinear equations describes the evolution of the electron beam and the amplitude and phase of the free-electron-laser field. The formulation is based on the slowly varying amplitude and phase approximation, and the distinction between microscopic and macroscopic scales, which distinguishes the microscopic bunching from the macroscopic pulse propagation. The capabilities of this new theoretical approach become apparent when its predictions for the ultrashort pulse free-electron laser are compared to experimental data; the optical pulse evolution, determined simply and accurately, agrees well with observations.
Colson, W. B.↗
A combinatorially complete epistatic fitness landscape in an enzyme active site
Protein engineering often targets binding pockets or active sites which are enriched in epistasis—nonadditive interactions between amino acid substitutions—and where the combined effects of multiple single substitutions are difficult to predict. Few existing sequence-fitness datasets capture epistasis at large scale, especially for enzyme catalysis, limiting the development and assessment of model-guided enzyme engineering approaches. We present here a combinatorially complete, 160,000-variant fitness landscape across four residues in the active site of an enzyme. Assaying the native reaction of a thermostable β-subunit of tryptophan synthase (TrpB) in a nonnative environment yielded a landscape characterized by significant epistasis and many local optima. These effects prevent simulated directed evolution approaches from efficiently reaching the global optimum. There is nonetheless wide variability in the effectiveness of different directed evolution approaches, which together provide experimental benchmarks for computational and machine learning workflows. The most-fit TrpB variants contain a substitution that is nearly absent in natural TrpB sequences—a result that conservation-based predictions would not capture. Thus, although fitness prediction using evolutionary data can enrich in more-active variants, these approaches struggle to identify and differentiate among the most-active variants, even for this near-native function. Overall, this work presents a large-scale testing ground for model-guided enzyme engineering and suggests that efficient navigation of epistatic fitness landscapes can be improved by advances in both machine learning and physical modeling.
biocatalysis↗
Comparison of laser-produced plasma spatio-temporal electron density evolution measured using interferometry with simulation results
Due to the difficulties associated with experimental measurements of laser-produced plasma (LPP) properties during the earliest stages of plasma evolution, radiation hydrodynamic codes are often used. However, although these codes have been extensively validated in the higher intensity regimes, validation at low to moderate intensities has been limited. In this study, the spatio-temporal electron density evolution in an LPP generated at moderate laser intensities and at various laser wavelengths was validated against the FLASH code for times up to 20 ns. The LPP was generated by focusing the fundamental and various harmonics radiation (1064, 532, and 266 nm) from a 6 ns full width half maximum Nd:YAG laser, at a laser intensity of 10 GW cm -2 , onto a copper target. The spatio-temporal density evolution of the expanding plasma was analyzed using Nomarski interferometry. Experimental measurements were found to be consistent with FLASH simulations, and the dependence of electron densities on wavelength was found to be in agreement with analytical models, varying as n e ∝ λ -0.7 . However, slight differences were noted in the widths and shape functions of the experimental and simulated electron density profiles.
2D fast imaging↗
A microstructural signature of the coesite-quartz transformation: New insights from high-pressure experiments and EBSD
Ultra-high pressure (UHP) metamorphism is difficult to identify in continental crust as few petrological barometers are suitable for dominantly felsic lithologies. In such cases, burial to extreme depths is commonly identified through the preservation of coesite, a high-pressure polymorph of SiO 2 that typically forms at depths exceeding ∼ 100 km (i.e., > 2 GPa pressure). Unfortunately, coesite readily transforms to quartz upon exhumation, meaning that UHP terranes may often be overlooked. While some studies have suggested that quartz may inherit an orientation signature indicative of former coesite, both the specific nature of this signature and the conditions favouring its development remain uncertain. Here, to address this problem, we combine electron backscatter diffraction analysis of natural and experimental samples to explore microstructural evolution across the coesite-quartz phase transformation. We demonstrate that neighbouring domains of quartz commonly feature an 84 ± 4° rotation of [c] axes around the pole of a common {m} plane. This orientation relationship is a product of epitaxy, whereby the {$11\bar{2}2$} Japan twin plane in quartz nucleates on the (010) plane in coesite. In supercell simulations, the nucleation of Japan twins can be explained by the energetically favourable alignment of quartz tetrahedra on parental coesite tetrahedra. Through experiments, we demonstrate that this signature emerges over a broad range of conditions, regardless of the availability of nucleation sites (e.g., grain boundaries) or the density of crystal lattice defects (e.g., dislocations). Overall, our work provides a quantitative and unambiguous tool for identifying UHP terranes from quartz in isolation.
Coesite↗
Surface Charge in Electrical Double Layer as a Kinetic Descriptor of Electrocatalytic Reactions
The successful commercialization of electrochemical energy-conversion systems hinges on a deeper understanding of electrocatalytic reaction kinetics. Despite extensive research, a key descriptor that characterizes electrolyte effects on reaction kinetics remains elusive. Here, surface charge in electrical double layers (EDLs) is introduced as a descriptor for electrolyte-dependent kinetics. The surface charge is calculated with a continuum EDL model parameterized by density-functional theory. The model is validated by reproducing the anomalously low slope of Pt(111) in Parsons-Zobel plots. Strong correlations are observed between calculated surface charge and experimental kinetic currents for hydrogen evolution, oxygen reduction, and CO 2 -reduction reactions across various pH levels and cationic species. These correlations can be either promotional or inhibitory, depending on solute-intermediate interactions. In acidic media, incorporating adsorbate charge captures specific adsorption effects in oxygen reduction reaction. In conclusion, these findings establish surface charge density as a key descriptor for electrolyte-dependent kinetics, which will guide the design of the electrode/electrolyte interface.
Adsorption↗
Deterministic Control of Sn 3+ Valence and Electronic Phase Evolution in AgSnSe 2
Understanding how unusual oxidation states influence material properties is important for both fundamental science and energy applications. AgSnSe 2 is particularly intriguing because it stabilizes the rare and long-debated Sn 3+ oxidation state, whose true existence and role have remained enigmatic for many years. Here, in this work, we employ X-ray photoelectron spectroscopy, Mössbauer spectroscopy, and X-ray absorption spectroscopy to directly probe the oxidation state of Sn and its evolution under chemical substitution. All experimental evidence consistently confirms the presence of Sn in the +3 oxidation state in AgSnSe 2 . Complementary density functional theory calculations further corroborate this assignment. By substituting Sn with Sb, we systematically control the electronic state and its impact on the material’s physical properties. At low Sb concentrations, AgSnSe 2 retains superconductivity with a transition temperature of ∼5 K, while increasing Sb content deterministically drives a metallic-to-semiconducting transition through progressive suppression of superconductivity. Spectroscopic analyses show that Sb substitution provides deterministic control of the Sn oxidation state, evolving from a uniform +3 configuration in AgSnSe 2 to a mixed +2/+4 valence-skipping regime at higher Sb levels, thereby establishing a direct chemical handle over the material’s electronic phase. This tunability demonstrates that the Sn oxidation state in AgSnSe2 can be precisely engineered through Sb substitution, enabling controlled electronic phase transitions and establishing AgSnSe 2 as a promising platform for quantum and energy-related applications
crystal structure↗
QCD evolution of entanglement entropy
Entanglement entropy has emerged as a novel tool for probing nonperturbative quantum chromodynamics (QCD) phenomena, such as color confinement in protons. While recent studies have demonstrated its significant capability in describing hadron production in deep inelastic scatterings, the QCD evolution of entanglement entropy remains unexplored. Here, in this work, we investigate the differential rapidity-dependent entanglement entropy within the proton and its connection to final-state hadrons, aiming to elucidate its QCD evolution. Our analysis reveals a strong agreement between the rapidity dependence of von Neumann entropy, obtained from QCD evolution equations, and the corresponding experimental data on hadron entropy. These findings provide compelling evidence for the emergence of a maximally entangled state, offering new insights into the nonperturbative structure of protons.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗