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NASA NTRS2017

Polycrystal Snowfakes

Building on the previous success of a mono-crystal snowflake growth model, a team of NASA researchers has invented and implemented a poly-crystal variant of the model to simulate simultaneous crystalline growth along lattices of different orientations. Inferring snowfall intensity and amount using remote sensing relies on knowing the scattering properties of snowing particles. However, these scattering properties depend strongly on the geometric shapes of the snowing particles. Poly-crystal snow particles, such as bullet rosettes, appear frequently in nature. Simulating the growth of both mono-crystal and poly-crystal particles and obtaining accurate scattering properties are paramount for furthering accurate quantitative estimates of snowfalls.

Clune, Tom↗

DOE OSTI2020

Shape-Selective Mesoscale Nanoarchitectures: Preparation and Photocatalytic Performance

We create ordered arrays of shape-selective gold-titania composite nanomaterials at the mesoscale (100 µm to 5 mm) by a combination of both bottom-up and top-down approaches for exquisite control of the size, shape, and arrangement of nanomaterials. Lithographic techniques along with wet chemical synthetic methods were combined to create these composite nanomaterials. The photocatalytic activity of these TiO 2, TiO 2 -Au and SiO 2 -TiO 2 -Au nano-composite mesoscale materials was monitored by the photodegradation of a model analyte, methyl orange, under UV and visible (Vis) illumination. Bare TiO 2 - and SiO 2 -TiO 2 -coated pillar arrays showed significant activity toward methyl orange in UV light with degradation rates on the order of 10 −4 –10 −3 min −1 . The photocatalytic activity of these arrays was also found to depend on the nanoparticle shape, in which particles with more edges and corners were found to be more reactive than spherical particles (i.e., the photocatalytic activity decreased as follows: diamonds > squares > triangles > spheres). SiO 2 -TiO 2 -Au nano-composite pillar arrays were tested in both UV and Vis light and showed increased activity in Vis light but decreased activity in UV light as compared to the bare semiconductor arrays. Additionally, the Au nanorod-functionalized nanoarrays exhibit a strong shape-dependence in their photocatalytic activity toward methyl orange degradation in Vis light.

36 MATERIALS SCIENCE↗

DOE OSTI2026

A Structure-Preserving Decorated Particle Method for the Vlasov-Poisson System

We revisit the Scovel-Weinstein framework (Scovel & Weinstein, CPAM 1994) for reducing the Vlasov-Poisson system while preserving its Hamiltonian structure. Standard particle-in-cell (PIC) algorithms approximate the distribution function by macro-particles with position and velocity. In contrast, Scovel-Weinstein decorated particles involve additional shape degrees of freedom, while maintaining a finite-dimensional reduction with Hamiltonian structure inherited from the continuum model. Although the original work established this structure three decades ago, its computational potential has remained largely unexplored. We present a practical implementation of the Scovel-Weinstein model and compare it with a standard PIC algorithm. Numerical experiments demonstrate that macro-particles in standard PIC can be replaced by far fewer decorated particles while retaining comparable accuracy. This decorated particle approach offers a new structure-preserving paradigm for kinetic plasma simulation.

65M75, 70H05, 70G65↗

NASA NTRS2008

Nanostructures Exploit Hybrid-Polariton Resonances

Nanostructured devices that exploit the hybrid-polariton resonances arising from coupling among photons, phonons, and plasmons are subjects of research directed toward the development of infrared-spectroscopic sensors for measuring extremely small quantities of molecules of interest. The spectroscopic techniques in question are surface enhanced Raman scattering (SERS) and surface enhanced infrared absorption (SEIRA). An important intermediate goal of this research is to increase the sensitivity achievable by these techniques. The basic idea of the approach being followed in this research is to engineer nanostructured devices and thereby engineer their hybrid-polariton resonances to concentrate infrared radiation incident upon their surfaces in such a manner as to increase the absorption of the radiation for SEIRA and measure the frequency shifts of surface vibrational modes. The underlying hybrid-polariton-resonance concept is best described by reference to experimental devices that have been built and tested to demonstrate the concept. The nanostructure of each such device includes a matrix of silicon carbide particles of approximately 1 micron in diameter that are supported on a potassium bromide (KBr) or poly(tetrafluoroethylene) [PTFE] window. These grains are sputter-coated with gold grains of 40-nm size (see figure). From the perspective of classical electrodynamics, in this nanostructure, that includes a particulate or otherwise rough surface, the electric-field portion of an incident electromagnetic field becomes concentrated on the particles when optical resonance conditions are met. Going beyond the perspective of classical electrodynamics, it can be seen that when the resonance frequencies of surface phonons and surface plasmons overlap, the coupling of the resonances gives rise to an enhanced radiation-absorption or -scattering mechanism. The sizes, shapes, and aggregation of the particles determine the frequencies of the resonances. Hence, the task of designing a nanostructure to exhibit the desired radiation-absorption properties translates, in large part, to selecting particle sizes and shapes to obtain the desired enhanced coupling of energy from photons to plasmons and phonons. To broaden the spectral region(s) of enhanced absorption, one would select a distribution of particle sizes and shapes.

Anderson, Mark↗

DOE OSTI2020

Measurement of away-side broadening with self-subtraction of flow in Au+Au collisions at ${{\sqrt{s_{NN}} = 200}}$ GeV

High transverse momentum ($p_T$) particle production is suppressed due to parton (jet) energy loss in the hot dense medium created in relativistic heavy-ion collisions. Redistribution of energy at low-to-modest $p_T$ has been elusive to measure because of large anisotropic backgrounds. Here, we report a novel data-driven method for background evaluation and subtraction, exploiting the away-side pseudorapidity gaps, to measure the jetlike correlation shape in Au+Au collisions at $\sqrt{s_{NN}}$ = 200 GeV with the STAR experiment. The correlation shapes, for trigger particle $p_T$ > 3 GeV/$c$ and various associated particle $p_T$ ranges within 0.5 < $p_T$ < 10 GeV/$c$, are consistent with Gaussians and their widths are found to increase with centrality. The results indicate jet broadening in the medium created in central heavy-ion collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1999

Coarsening in Solid-Liquid Mixtures Studied on the Space Shuttle

Ostwald ripening, or coarsening, is a process in which large particles in a two-phase mixture grow at the expense of small particles. It is a ubiquitous natural phenomena occurring in the late stages of virtually all phase separation processes. In addition, a large number of commercially important alloys undergo coarsening because they are composed of particles embedded in a matrix. Many of them, such as high-temperature superalloys used for turbine blade materials and low-temperature aluminum alloys, coarsen in the solid state. In addition, many alloys, such as the tungsten-heavy metal systems, coarsen in the solid-liquid state during liquid phase sintering. Numerous theories have been proposed that predict the rate at which the coarsening process occurs and the shape of the particle size distribution. Unfortunately, these theories have never been tested using a system that satisfies all the assumptions of the theory. In an effort to test these theories, NASA studied the coarsening process in a solid-liquid mixture composed of solid tin particles in a liquid lead-tin matrix. On Earth, the solid tin particles float to the surface of the sample, like ice in water. In contrast, in a microgravity environment this does not occur. The microstructures in the ground- and space-processed samples (see the photos) show clearly the effects of gravity on the coarsening process. The STS-83-processed sample (right image) shows nearly spherical uniformly dispersed solid tin particles. In contrast, the identically processed, ground-based sample (left image) shows significant density-driven, nonspherical particles, and because of the higher effective solid volume fraction, a larger particle size after the same coarsening time. The "Coarsening in Solid-Liquid Mixtures" (CSLM) experiment was conducted in the Middeck Glovebox facility (MGBX) flown aboard the shuttle in the Microgravity Science Laboratory (MSL-1/1R) on STS-83/94. The primary objective of CSLM is to measure the temporal evolution of the solid particles during coarsening.

Caruso, John J.↗

DOE OSTI2017

Surface Pb nanoparticle aggregation, coalescence and differential capacitance in a deep eutectic solvent using a simultaneous sample-rotated small angle x-ray scattering and electrochemical methods approach [Surface Pb nanoparticle aggregation, coalescence and differential capacitance in a deep eutectic solvent using a simultaneous grazing transmission small angle x-ray scattering and electrochemical methods approach]

Nanoparticle electrodeposition is a simple and scalable approach to synthesizing supported nanoparticles. Used with a deep eutectic solvent (DES), surface nanoparticles can be assembled and exhibit unique surface charge separation when the DES is adsorbed on the nanoparticle surface. Key to understanding and controlling the assembly and the capacitance is a thorough understanding of surface particle mobility and charge screening, which requires an in-situ approach. In this study, Pb particle formation, size, shape and capacitance are resolved in a 1:2 choline Cl – : urea deep eutectic solvent whilst sweeping the cell potential in the range: 0.2 V to –1.2 V (vs. Ag/AgCl). These system parameters were resolved using a complementary suite of sample-rotated small angle X-ray scattering (SR-SAXS) and electrochemical impedance spectroscopy (EIS), which are presented and discussed in detail. This approach is able to show that both particle and ion transport are impeded in the DES, as aggregation occurs over the course of 6 minutes, and dissolved Pb ions accumulate and remain near the surface after a nucleation pulse is applied. The DES-Pb interactions strongly depend on the cell potential as evidenced by the specific differential capacitance of the Pb deposit, which has a maximum value of 2.5 +/– 0.5 F g –1 at –1.0 V vs. Ag/AgCl. Together, the SR-SAXS-EIS approach is able to characterize the unique nanoparticle capacitance, mobility and ion mobility in a DES and can be used to study a wide range of nanoparticle deposition systems in-situ .

36 MATERIALS SCIENCE↗

DOE OSTI2025

Using DAPPER to extract the photon strength function of 58 Fe using the inverse Oslo and shape methods

The photon strength function of 58 Fe has been extracted using both the Oslo and Shape methods from particle–γ coincidence data measured using the Detector Array for Photons, Protons, and Exotic Residues, which probes nuclei utilizing (d,p) reactions in inverse kinematics. Four particle–γ coincidence matrices, each constructed with different treatments of the γ–ray energies, are explored in order to observe the impact on the resulting nuclear level density and photon strength. The final photon strength function reported is found to agree well with previous Oslo measurements of other iron isotopes. Systematic uncertainties are included, using different model parameters and their reported errors to perform the Oslo method normalization. The model-independent Shape method is explored and the functional form of the photon strength function obtained is in agreement with the Oslo method results. A low-energy enhancement is not reported for 58 Fe in this work given possible subtraction issues originating from strongly populated states.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1985

Advance particle and Doppler measurement methods

Particle environments, i.e., rain, ice, and snow particles are discussed. Two types of particles addressed are: (1) the natural environment in which airplanes fly and conduct test flights; and (2) simulation environments that are encountered in ground-test facilities such as wind tunnels, ranges, etc. There are characteristics of the natural environment that one wishes to measure. The liquid water content (LWC) is the one that seems to be of most importance; size distribution may be of importance in some applications. Like snow, the shape of the particle may be an important parameter to measure. As one goes on to environment in simulated tests, additional parameters may be required such as velocity distribution, the velocity lag of the particle relative to the aerodynamic flow, and the trajectory of the particle as it goes through the aerodynamic flow and impacts on the test object.

Busch, C.↗

NASA NTRS1983

Time dependence of solid-particle impingement erosion of an aluminum alloy

Erosion studies were conducted on 6061-T6511 aluminum alloy by using jet impingement of glass beads and crushed glass particles to investigate the influence of exposure time on volume loss rate at different pressures. The results indicate a direct relationship between erosion-versus-time curves and pitmorphology (width, depth, and width-depth ratio)-versus-time curves for both glass forms. Extensive erosion data from the literature were analyzed to find the variations of erosion-rate-versus-time curves with respect to the type of device, the size and shape of erodent particles, the abrasive charge, the impact velocity, etc. Analysis of the experimental data, obtained with two forms of glass, resulted in three types of erosion-rate-versus-time curves: (1) curves with incubation, acceleration, and steadystate periods (type 1); (2) curves with incubation, acceleration, decleration, and steady-state periods (type 3); and (3) curves with incubation, acceleration, peak rate, and deceleration periods (type 4). The type 4 curve is a less frequently seen curve and was not reported in the literature. Analysis of extensive literature data generally indicated three types of erosion-rate-versus-time curves. Two types (types 1 and 3) were observed in the present study; the third type involves incubation (and deposition), acceleration, and steady-state periods (type 2). Examination of the extensive literature data indicated that it is absolutely necessary to consider the corresponding stages or periods of erosion in correlating and characterizing erosion resistance of a wide spectrum of ductile materials.

Veerabhadrarao, P.↗

DOE OSTI2017

Modelling the evolution of complex conductivity during calcite precipitation on glass beads

When pH and alkalinity increase, calcite frequently precipitates and hence modifies the petrophysical properties of porous media. The complex conductivity method can be used to directly monitor calcite precipitation in porous media because it is sensitive to the evolution of the mineralogy, pore structure and its connectivity. Here, we have developed a mechanistic grain polarization model considering the electrochemical polarization of the Stern and diffuse layers surrounding calcite particles. Our complex conductivity model depends on the surface charge density of the Stern layer and on the electrical potential at the onset of the diffuse layer, which are computed using a basic Stern model of the calcite/water interface. The complex conductivity measurements of Wu et al. on a column packed with glass beads where calcite precipitation occurs are reproduced by our surface complexation and complex conductivity models. The evolution of the size and shape of calcite particles during the calcite precipitation experiment is estimated by our complex conductivity model. At the early stage of the calcite precipitation experiment, modelled particles sizes increase and calcite particles flatten with time because calcite crystals nucleate at the surface of glass beads and grow into larger calcite grains. Finally, at the later stage of the calcite precipitation experiment, modelled sizes and cementation exponents of calcite particles decrease with time because large calcite grains aggregate over multiple glass beads and only small calcite crystals polarize.

58 GEOSCIENCES↗

NASA NTRS1984

Sulfur dioxide and particles in quiescent volcanic plumes from Poas, Arenal, and Colima volcanos, Costa Rica and Mexico

Measurements of SO2 emission rates and concentrations and of particle distribution, size, shape, and composition were made in quiescent volcanic plumes emitted into the troposphere from Poas and Arenal volcanos, Costa Rica, and Colima volcano, Mexico. SO2 emission rates were 700 + or - 180 metric tons per day (t/d) for Poas, 210 + or - 30 t/d for Arenal, and 320 + or - 50 t/d for Colima. The concentrations of SO2 calculated from the COSPEC/lidar data were 5-380 ppb. Concentrations of SO2 measured directly by flame photometry were 10-250 ppb. Particles collected in the plumes with a quartz crystal microbalance impactor were mostly less than 3 microns in diameter and consisted of droplets of dilute sulfur-bearing solutions and minor amounts of layer silicate particles coated with a sulfur-bearing film or crust. Total particle concentrations were 4.7 micrograms per cu.m for Poas and 18.8 micrograms per cu.m for Colima. Comparison of concentrations of SO2 in the plumes with gas samples collected at fumaroles on the ground suggests that the plumes are diluted by the atmosphere by factors of up to 100,000.

Casadevall, T. J.↗

NASA NTRS2004

Analysis of Droplet Size during the Ice Accumulation Phase Of Flight Testing

There are numerous hazards associated with air travel. One of the most serious dangers to the pilot and passengers safety is the result of flying into conditions which are conducive to the formation of ice on the surface of an aircraft. Being a pilot myself I am very aware of the dangers that Icing can pose and the effects it can have on an airplane. A couple of the missions of the Icing branch is to make flying safer with more research to increase our knowledge of how ice effects the aerodynamics of an airfoil, and to increase are knowledge of the weather for better forecasting. The Icing Branch uses three different tools to determine the aerodynamic affects that icing has on a wing. The Icing research tunnel is an efficient way to test various airfoils in a controlled setting. To make sure the data received from the wind tunnel is accurate the Icing branch conducts real flight tests with the DHC-6 Twin Otter. This makes sure that the methods used in the wind tunnel accurately model what happens on the actual aircraft. These two tools are also compared to the LEWICE code which is a program that models the ice shape that would be formed on an airfoil in the particular weather conditions that are input by the user. One benefit of LEWICE is that it is a lot cheaper to run than the wind tunnel or flight tests which make it a nice tool for engineers designing aircraft that don t have the money to spend on icing research. Using all three of these tools is a way to cross check the data received from one and check it against the other two. industries, but it is also looked at by weather analysts who are trying to improve forecasting methods. The best way to avoid the troubles of icing encounters is to not go into it in the first place. By looking over the flight data the analyst can determine which conditions will most likely lead to an icing encounter and then this information will aid forecasters when briefing the pilots on the weather conditions. am looking at the weather data from certain flights and analyzing the type of precipitation that the plane is flying through. During flight tests there is a probe on the bottom of the aircraft that gathers information on the size and shape of the particles that it is flying through. The data can then be viewed on a computer. After grouping the weather into certain groups we can then pick certain groups which we think should be analyzed farther. The goal is to remove all the ice particles because they do not contribute to the icing on an aircraft. We use a 2D analyzer which measures the droplet size and categorizes the drops into bins of certain sizes. We can then look at what the characteristics of the weather that we were flying through such as the temperature and dew point and compare this with the size of the drops that the 2D analyzer measured. We can then look at what type and shape of ice that formed on the wing during this time period. Having this data will help us to reproduce these conditions using LEWICE and the wind tunnel. Having consistency among the tests will make things more accurate. With respect to weather forecasting we will be able to learn which conditions can lead to icing. Better accuracy in weather reporting will lead to fewer run-ins with icing which will also lead to fewer accidents.

Miller, Eric James↗

DOE OSTI2017

North Slope of Alaska Snow Intensive Operational Period Field Campaign Report

The campaign was motivated by the need to improve the quantification of measurements of ice-phase precipitation in the Arctic and was by the acquisition and deployment of the new X- and Ka/W-band radars. These radars opened up an opportunity for the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Climate Research Facility to obtain spatial estimates of snowfall rates using the polarimetric X-band measurements and dual-frequency measurements (using different combinations of the three wavelengths). However, calculations of X- and Ka-band radar back-scattering of ice crystal aggregates with their complex structure suggest that the commonly used T-matrix approach (Matrosov et al. 2007) for modeling the radar back-scattering underestimates the reflectivity by several decibels, with errors increasing with increasing radar frequency (Botta et al. 2010, 2011). Moreover, the X-band polarimetric measurements and the Ka/W-band measurements are sensitive to the assumed shape of the snow (Botta et al. 2011). One of the five ARM two-dimensional video disdrometers (manufactured by Joanneum Research) were deployed in Barrow at the ARM North Slope of Alaska (NSA) site from 1 October, 2011 to 31 May, 2012 in an attempt to use the instrument in a novel way. The instrument was originally designed to measure the drop size distribution of rain but it seemed worthwhile to explore its capability to quantify ice precipitation particle size and shape distributions in the cold north for scattering calculations and precipitation estimations. Furthermore, this deployment gave us an opportunity to see how reliable it could be in arctic conditions.

Ka-band radar↗

DOE OSTI2020

High Temperature Erosion Modeling in Particle Based CSP Systems

1. Introduction. Wear and erosion damage of materials from solid particle and surface interactions is a major issue in various industries. Although more common in mining and oil and gas production, erosion is becoming a critical issue in renewable technologies as well such as particle based concentrated solar thermal power (CSP) systems. In particle based CSP systems, solid particles are used to absorb solar energy and as thermal storage. However, these particles may cause significant amount of wear to system components while through the system at high temperatures. This damage can be costly, and therefore, requires a greater understanding of solid particle erosion in CSP systems. Throughout the years, models and tools have been developed to predict and control erosion in industries such as oil and gas production. However, these erosion models and erosion prediction tools have been mainly developed based on erosion data for much higher velocities and lower temperatures, i.e. the operating conditions for which the existing models have been built are not pertinent to those expected in CSP system. It is known that erosion depends on many factors such as material properties, erodent particle properties, and particle impact speed and angle. However, the effect of temperature on erosion is not vastly investigated. In this work, a temperature-based correlation is introduced that will be used to modify the existing erosion models to predict erosion rates at velocities and temperatures relevant to Gen3 CSP systems. The existing models are first validated against erosion experiments run at low temperatures and low velocities. Subsequently, a temperature correction term is developed that can extend the existing models to high temperatures, based on the available experimental data showing the effect of temperature on impact erosion. 2. Erosion Models. Continuing sequence of impacts from solid particles on surfaces would result in loss of material due to mechanical interaction between solid surface and particles. Erosion equations have been developed to predict erosion under different conditions and erosion mechanism, including cutting and deformation erosion. These models are mainly either mechanistic, empirical, and semi-mechanistic models, when the latter combine the theory of the erosion mechanism and particle motion with the available experimental data. One of the first empirical correlation was introduced by American Petroleum Institute (API) Recommended Practice (RP) 14E [1]. This correlation was very conservative, and several improved empirical and semi-mechanistic equations were developed in the years following. More recently, the models introduced by Erosion/Corrosion Research Center (E/CRC) at the University of Tulsa and Arabnejad. et al. [2] are frequently used in the literature and industry, as they account for many parameters affecting erosion including particle impact speed and angle, material density and hardness, and particle size and shape. However, both these models were developed based on data at relatively high velocities and also do not take into account any mechanical changes in material associated with thermal cycling at high temperatures. 3. Erosion Prediction at High Temperatures. In this work, the accuracy of Arabnejad et al. model and E/CRC model is investigated to predict impact erosion at conditions relevant to Gen3 CSP systems. Two significant deviations expected in Gen3 systems compared to operating conditions used to build these models are particle impact velocities and system temperature. As a first step, the performance of these models was validated at low velocities and temperatures. Impact erosion experiments were conducted on SS316 coupons using HSP 40/70 ceramic particles. Assuming particle rate of 1 kg/s/m, 0.0254 m of particle curtain thickness, and particle velocity of 1.5 m/s in the system, an overall erosion of 0.59 mm/year was calculated. The experimental results were subsequently compared to those from computational simulations and erosion of 0.47 mm/year was obtained using the Arabnejad et al. model. The results indicated that the models work well at low velocities and low temperature conditions. To account for temperature effect, a mathematical correlation was developed using data published by DUCOM [3] for Inconel 600 eroded by alumina particles at high velocities. The correlation was applied to both Arabnejad et. al model and the E/CRC model. The prediction results from these modified models were within 20% of this experimental data. Predictions of of erosion by the modified E/CRC model at three different temperatures are made. Similar to the calculation at low temperature, a typical CSP system with 1 kg/s/m of particle flow rate per unit length of the particle curtain and a curtain thickness of 0.0254 m is assumed. The annual thickness loss calculations were run for different particle impact velocities, assuming a uniform particle impact area equal to the cross-sectional area of the curtain (particle-particle interactions and dispersion of particles are not considered in obtaining the results). It is observed that erosion increases exponentially as temperature increases. Furthermore, it is also noted that, erosion changes non-linearly with impact velocity. Currently, experiments are also being conducted to measure erosion of SS316 at 800 ºC with HSP 40/70 particles at low impact velocities. We expect to use the results from high temperature testing to further improve the temperature correlation function. Similar models are also being developed for abrasion erosion resulting from particle sliding along the surfaces as well as attrition from particle to particle and particle to surface interactions. References. [1] Institute, A. P. (1991). API Recommended Practice for Design and Installation of Offshore Production Platform Piping System, API RP 14E. [2] Arabnejad, H., Mansouri, A., Shirazi, S. A., and McLaury, B. S. (2015a). Development of mechanistic erosion equation for solid particles. Wear, 332–333, 1044–1050. http://doi.org/10.1016/j.wear.2015.01.031. [3] https://ducom.com/high-temperature-erosion-evaluating-sample-wear/

14 SOLAR ENERGY↗

DOE OSTI2021

Cryo-EM structure determination of small proteins by nanobody-binding scaffolds (Legobodies)

We describe a general method that allows structure determination of small proteins by single-particle cryo-electron microscopy (cryo-EM). The method is based on the availability of a target-binding nanobody, which is then rigidly attached to two scaffolds: 1) a Fab fragment of an antibody directed against the nanobody and 2) a nanobody-binding protein A fragment fused to maltose binding protein and Fab-binding domains. The overall ensemble of ~120 kDa, called Legobody, does not perturb the nanobody–target interaction, is easily recognizable in EM images due to its unique shape, and facilitates particle alignment in cryo-EM image processing. The utility of the method is demonstrated for the KDEL receptor, a 23-kDa membrane protein, resulting in a map at 3.2-Å overall resolution with density sufficient for de novo model building, and for the 22-kDa receptor-binding domain (RBD) of SARS-CoV-2 spike protein, resulting in a map at 3.6-Å resolution that allows analysis of the binding interface to the nanobody. The Legobody approach thus overcomes the current size limitations of cryo-EM analysis.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1988

Light scattering by an arbitrary particle - The scattering-order formulation of the coupled-dipole method

The field scattered by an arbitrary particle modeled as an array of coupled dipoles can be expressed as an infinite series in terms of scattering orders. The fields of a given scattering order can be calculated from those of the previous order. When the series converge, the approximate method agrees well with the exact theory for a sphere. The maximum size of the dipolar array that can be used with the method as well as the number of terms required for convergence depends on the relative refractive index and the shape of the particle.

Singham, Shermila Brito↗

DOE OSTI2020

Devising novel methods for the controlled synthesis with morphology and size control of scintillator materials

Nanoscale scintillators represent an important class of materials underlying the functioning of high resolution, high ‘light yield’ radiation detection equipment, applicable for medicine in addition to security and environmental monitoring. This current study has focused on the controlled synthesis of Cs 2 ZnX 4 (X = Cl, Br) not only due to its very fast and promising radioluminescence decay time but also because no reliable synthesis protocols have been reported for producing nanoscale motifs of this material, to date. Solution-based methods can be used to synthesize products, possessing different, discrete morphologies with the ability to dictate particle size and shape. Specifically, we have demonstrated that a hot injection technique can be used to fabricate nanoscale rods and plates. Using this method, we systematically studied the effect of varying reaction variables, such as (i) reaction temperature, (ii) surfactants, and (iii) reaction time. As synthesized nanorods of Cs 2 ZnCl 4 possessed lengths of 101.3 ± 24.4 nm with widths of 17.3 ± 4.5 nm, whereas Cs 2 ZnBr 4 , created under identical conditions, were characterized by lengths of 206 ± 50 nm and widths of 26.7 ± 12.6 nm. Ligand-assisted re-precipitation (LARP) was used to produce the corresponding micron-sized particles. Under these conditions, we successfully synthesized spindles and spherical particles of Cs 2 ZnCl 4 with sizes of 1.58 ± 0.16 μm and 1.03 ± 0.34 μm, respectively, whereas plates of Cs 2 ZnBr 4 were prepared with average sizes of 0.76 ± 0.21 μm. High resolution synchrotron mapping, using the hard X-ray nanoprobe at NSLS II, was used to confirm the expected spatial distribution of Cs, Zn, and Cl within the as-produced crystals. Nanorods of Cs 2 ZnCl 4 and Cs 2 ZnBr 4 were subsequently tested for scintillation light yield and decay times. Preliminary results showed that Cs 2 ZnCl 4 maintained a light yield of 100–300 photons per MeV with a fast decay component of 2.6 ns. Finally, the Cs 2 ZnBr 4 analogue did not give rise to any perceptible scintillation emission.

36 MATERIALS SCIENCE↗