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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Influence of Abrasive Grinding on Through-Section Residual Stresses on Bearing Steel

In today’s industrial world, bearings are used in traditional applications such as automotive, steel mills, paper mills, railways as well as high precision applications such as aerospace, medical, renewable energy etc. Regardless of application, residual stresses play an important role in the service life of a bearing. In general, bearings experience Hertzian stresses in the order of 2-3 GPa with maximum stresses generated in the subsurface. Depending upon the magnitude and nature (tensile or compressive), the residual stresses enhance or reduce the application stresses. The residual stresses are generated during each stage of manufacturing process. For bearing components, the manufacturing stages include – tube rolling, green machining followed by heat treatment and final finishing. Majority of bearings are finished using abrasive grinding to achieve the final size and shape. The work holding and material removal during the grinding process can cause significant distortion. Distortion of bearing components is ab significant issue, especially for thin sectioned components, leading to high scrap rates. In this study, diffraction was utilized to understand the evolution of through thickness residual stresses after abrasive grinding on a thin walled bearing component. The results from neutron diffraction were coupled with distortion measurement especially the out of roundness to understand the effect of the final processing on the residual stress state present in the bearings.

Bedekar, Vikram↗
DOE OSTI2025

RICH (Robotic Interface Control & Handling) System for VULCAN

High flux neutron beam and high efficiency detectors warrant quick turn arounds of neutron diffraction measurements at the engineering materials diffractometer VULCAN. Efficient change and alignment of samples and automatic measurements at VULCAN are desired for better use of neutron beam time by users. In this work, we aim to develop a proof-of-concept Robotic Interactive Control & Handling System (RICH) for sample handling at VULCAN that could assist high throughput experiments and reduce the overhead time significantly. This was realized by a six-axis desktop robot with trained AI models. The trained AI models can recognize and locate samples in various types of positions in a live video stream. In addition, we developed smart algorithms which used our models on multiple cameras to recognize where samples are with respect to multiple point of views, and then using user-inputted parameters, align them to perform complex measurements.

42 ENGINEERING↗
DOE OSTI2021

Complex Structural Disorder in a Polar Orthorhombic Perovskite Observed through the Maximum Entropy Method/Rietveld Technique

Ambient pressure stable perovskite oxides with all Bi3+ on the A-site are rare, with only four examples known. Due to the lone pair on Bi 3+ , these materials are seen as the best alternative to Pb-based piezoelectrics, which are used widely in society. The industry standard piezoelectric, Pb (Zr 1 – x Ti x )O 3 , relies on the [001] polarization of PbTiO 3 , but there are currently no ambient pressure stable Bi-based perovskites with this polarization vector, preventing the creation of an analogous system. We present the full structural analysis of the orthorhombic phase of (1 – x)Bi (Ti 3/8 Fe 2/8 Mg 3/8 )O 3 – x CaTiO 3 , which crystallizes in Pna2 1 symmetry with [001] polarization. This symmetry is rare and has only been reported twice for perovskites at ambient conditions. Analysis of maximum entropy method (MEM) models using synchrotron radiation powder X-ray diffraction reveals a disordered A-site configuration, and the MEM/Rietveld technique generates a structural model of this extreme disorder. Combined Rietveld analysis of X-ray and neutron diffraction data yields an accurate description of the local A-site configuration, which we use to understand our dielectric, ferroelectric, and piezoelectric measurements. These results give insight into how to stabilize this unique symmetry and inspire new design principles for Bi-based piezoelectrics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Complete Status Report Documenting the Development of Friction Stir Welding for Producing a Butt Joint in Thin Wall Tubing of ODS Alloys

A challenging attempt using friction stir welding to produce a butt joint between two 1.0 mm thick plates of 14YWT was nearly successful. The modified tool pin mostly penetrated the thickness of the adjoined thin plate samples resulting in a small blunt notch on the bottom surface of the butt joint. A bend occurred in the thin plate sample due to formation of stresses from clamping the thin plate sample during FSW. The peak displacement of the bend occurred along the center line of the butt joint. The weld zone showed good microstructure mixing with some flashing mostly on the retreating side that suggested excess heat input by friction between the traveling and spinning tool pin and thin plates of 14YWT. Neutron diffraction experiments were performed on the bent sample of 14YWT to measure the residual stresses in the butt joint on the HB-2B beam line at the Neutron Residual Stress Facility at HFIR. However, the neutron scattering to background noise ratio was very low during data acquisition. Measurements of lattice strains were obtained in the rolling (RD) and normal (ND) directions but not in the extrusion direction (ED) of the thin plate sample. Unfortunately, the quality of the data was not sufficient for determining the residual stresses in the butt joint. From the previous neutron scattering experiments conducted on four hot rolled plates (R1, R2, R3 and R4) of 14YWT, the residual stresses were calculated from lattice strain data and plotted in 2-D color contour maps for ED, RD and ND. The results showed variations in the magnitude and spatial position of residual stresses in the microstructure of the four plates. The magnitude in residual stresses in ED and RD increased gradually with increasing rolling deformation for R1 (50%) to R2 (76%), followed by larger increases in R3 (89%) and R4 (95%). The maximum peaks in residual stresses for R4 was ~710-730 MPa in ED and RD. The residual stresses in ND were below ~300 MPa for each of the 4 rolled plates, with a maximum residual stress in R4 (95%) of ~400 MPa. These results indicated that significant residual stresses representing ~57% of the yield stress of 14YWT (SM13) had accumulated in the 14YWT plate after hot rolling to the 1 mm thickness, which was used in the FSW experiments. The microstructure analysis of the 1.0 mm thick plate of 14YWT containing the butt joint produced by FSW revealed significant changes in the grain structure and texture between the unaffected zone (UZ) of the rolled plate and the butt joint weld. In the UZ, the grains were severely elongated after 95% deformation and mainly possessed the {101} texture component in the ED. Two predominant grain misorientation angles were observed: one consisting of small misorientations of <5º between highly elongated grains and the other consisting of large misorientations of >15º in pockets of small grains that might have formed by dynamic recrystallization processes during rolling of the plate at 1000ºC. The morphology and texture of grains in the heat affected zone (HAZ) were similar to those in UZ, except the grains had coarsened due to excess heat input during FSZ. A population of pores formed and the grains both coarsened and changed to isotropic morphology in the microstructure of the butt joint on both the advancing and retreating sides. The texture of grains in both regions were randomly orientated between the 3 poles {001}, {101} and {111}. The main difference in texture of grains between the advancing side and retreating side was with the misorientation angles of neighboring grains. Most of the grains in the advancing side had misorientation angles of >5º indicating that these grains experienced recrystallization. On the retreating side, areas containing larger grains showed high misorientation angles of >15º compared to areas appearing as bands of grains with misorientation angles of <5º and between 5º-15º. Numerous small pockets of grains with low misorientation angles of <5º were distributed in the microstructure among the grains showing high misorientation angles of >15º. It was determined that the grains associated with low misorientation angles contained sub-grain structures, which was consistent with both recrystallization and recovery mechanisms for grains located on the retreating side of the butt joint. These results demonstrate the complex microstructure that evolves in the microstructure of 14YWT resulting from the input of high temperatures and severe deformations during FSW.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Nonstereotypical Distribution and Effect of Ergosterol in Lipid Membranes

Ergosterol, found in fungi and some protist membranes, is understudied compared with cholesterol from animal membranes. Generally, ergosterol is assumed to modulate membranes in the same manner as cholesterol, based on their similar chemical structures. Here we reveal some fundamental structural and dynamical differences between them. Neutron diffraction shows that ergosterol is embedded in the lipid bilayer much shallower than cholesterol. Further, ergosterol does not change the membrane thickness as much as cholesterol does, indicating little condensation effect. Neutron spin echo shows that ergosterol can rigidify and soften membranes at different concentrations. The lateral lipid diffusion measured by quasielastic neutron scattering indicates that ergosterol promotes a jump diffusion of the lipid, whereas cholesterol keeps the same continuous lateral diffusion as the pure lipid membrane. Our results point to quite distinct interactions of ergosterol with membranes compared with cholesterol. These insights provide a basic understanding of membranes containing ergosterol with implications for phenomena such as lipid rafts and drug interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Perfect Crystals: microgravity capillary counterdiffusion crystallization of human manganese superoxide dismutase for neutron crystallography

The NASA mission Perfect Crystals used the microgravity environment on the International Space Station (ISS) to grow crystals of human manganese superoxide dismutase (MnSOD)—an oxidoreductase critical for mitochondrial vitality and human health. The mission’s overarching aim is to perform neutron protein crystallography (NPC) on MnSOD to directly visualize proton positions and derive a chemical understanding of the concerted proton electron transfers performed by the enzyme. Large crystals that are perfect enough to diffract neutrons to sufficient resolution are essential for NPC. This combination, large and perfect, is hard to achieve on Earth due to gravity-induced convective mixing. Capillary counterdiffusion methods were developed that provided a gradient of conditions for crystal growth along with a built-in time delay that prevented premature crystallization before stowage on the ISS. Here, we report a highly successful and versatile crystallization system to grow a plethora of crystals for high-resolution NPC.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Top Loading Helium Cryostat Integrated with High-Pressure Cell with Fast Remote Pressure Control (Final Report for SBIR Phase 1)

A large number of physical phenomena, such as superconductivity and quantum critical phenomena, often appear only at very low temperatures below 5 K. There is an immense interest to investigate these phenomena at high pressure as a means of tuning interatomic distances, and thus the interaction parameters controlling these phenomena, in a continuous and controlled fashion. The current P-T condition for neutron scattering experiments are limited to either relatively low pressures of about 2 GPa at temperatures below 5 K, or to relatively high temperatures at pressures or tens of GPa. The purpose of this research is to develop neutron sample environment instrumentation for reaching 10-20 GPa at 1-2K with rapid and reliable online pressure and temperature control (i.e. without having to interrupt the experiment). The ultimate goal of the project is to design an integrated fast-cooling low-temperature sample environment cryogenic system compatible with state of the art neutron diamond anvil cells suitable for single-crystal neutron scattering experiments for temperatures down to 2K and pressures of several tens of GPa. The integrated system will consist of top-loading Helium flow cryostat with in-situ sample alignment mechanisms, large-volume diamond anvil cells (DAC) made from novel superalloy Pascalloy and optimized for fast cooling and heating, and a compact remote pressure control mechanism for the DAC based on a novel concept of inflatable bellows integrated with a lever-arm based force amplifier. In Phase I, we have designed, manufactured, and tested prototypes of the novel compact force-amplified pneumatic pressure control mechanism for Neutron Diamond Anvil Cell (nDAC), which allows to use pneumatic bellows system for smooth remote pressure control in the nDAC inside a top-loading cryostat with bore size of 70 mm or larger. This allows significant minimum temperature decrease in remotely controlled nDAC from 5-10 K down to 2 K. We also studied mechanical properties of a novel non-magnetic superalloy Pascalloy with different heat-treatment conditions and preliminary results indicate that up to date this is probably the strongest and most suitable material for making more compact and lightweight cryogenic nDACs for neuron scattering experiments at extreme conditions, allowing much faster cooling and heating. Potential applications: The new developments will allow to create a wide range of compact Diamond Anvil Cells for neutron diffraction which can reach several tens of GPA pressure at 2-4 K while preserving accurate remote pressure control capabilities. The new concepts can be used for developing sample environment instrumentation outside the neutron scattering field. The new development have very strong potential for expanding experimental capabilities in materials sciences and have high commercialization potential. The proposed new cryogenic high-pressure system or any of its individual components will be in high demand not only in neutron scattering facilities, but also at synchrotron beamlines and other high-pressure research facilities around the world.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Quantitative Uncertainty Analysis for Diffraction

Current software uses a least squares statistical method. For each model parameter, current software yields a point estimate and estimated standard error for each point estimate. In contrast, we have employed a Bayesian approach with sampling algorithm to provide a full posterior probability density function on each model parameter. This yields a different type of solution (probabilistic) with better fidelity. The Quantitative Uncertainty Analysis for Diffraction (QUAD) package returns a matrix of affect model parameters as a function of iteration through the MCMC analysis. QUAD is a Python code that allows for analysis of X-ray and neutron diffraction data to infer the structure of materials with quantifiable certainty. The code uses Bayesian statistics and Markov chain sampling algorithms to create posterior probability distributions on all material structure parameters that are modeled by a researcher. The statistical packages use the open source GSASII project as a library to calculate model diffraction patterns.

Fancher, ChristopherM↗
DOE OSTI2022

Crystal-field states and defect levels in candidate quantum spin ice Ce 2 Hf 2 O 7

Here, we report the synthesis of powder and single-crystal samples of cerium pyrohafnate and their characterization using neutron diffraction, thermogravimetry and x-ray absorption spectroscopy. We evaluate the amount of nonmagnetic Ce 4+ defects and use this result to interpret the spectrum of crystal-electric field transitions observed using inelastic neutron scattering. The analysis of these single-ion transitions indicates the dipole-octupole nature of the ground-state doublet and a significant degree of spin-lattice coupling. The single-ion properties calculated from the crystal-electric field parameters obtained spectroscopically are in good agreement with bulk magnetic susceptibility data down to about 1 K. Below this temperature, the behavior of the magnetic susceptibility indicates a correlated regime without showing any sign of magnetic long-range order or freezing down to 0.08 K. We conclude that Ce 2 Hf 2 O 7 is another candidate to investigate exotic correlated states of quantum matter, such as the octupolar quantum spin ice recently argued to exist in the isostructural compounds Ce 2 Sn 2 O 7 and Ce 2 Zr 2 O 7 .

36 MATERIALS SCIENCE↗
DOE OSTI2026

Phase diagram and spectroscopic signatures of a supersolid in the quantum ising magnet K 2 Co(SeO 3 ) 2

Supersolid phases are quantum-entangled states of matter exhibiting the dual characteristics of superfluidity and solidity. Theory predicts that hard-core bosons on a triangular lattice can form such phases at half filling and near complete filling. Leveraging an exact mapping between bosons and spin-$\frac{1}{2}$ degrees of freedom, here we show that these phases are realized in the triangular-lattice antiferromagnet K 2 Co(SeO 3 ) 2 . At zero field, neutron diffraction reveals the development of quasi-two-dimensional $\sqrt3$ x $\sqrt3$ magnetic order with Z 3 translational symmetry breaking (solidity), though with reduced amplitude indicating strong quantum fluctuations. These fluctuations manifest as equidistant bands of continuum neutron scattering, where the lowest-energy mode is gapless at K ($\frac{1}{3}$ $\frac{1}{3}$), consistent with broken U(1) spin rotational symmetry (superfluidity). For c-axis-oriented magnetic fields near saturation, we find a second phase consistent with a high-field supersolid. These two supersolids are separated by a pronounced 1/3 magnetization plateau phase that supports coherent spin waves, from which we determine the underlying spin Hamiltonian.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

A compact in situ polarized 3He neutron spin filter for the diffractometer VULCAN at the Spallation Neutron Source

We have built and commissioned a compact in situ 3He polarizer based on spin-exchange optical pumping for the engineering materials diffractometer, named VULCAN, at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory. The system achieved 78% 3He polarization with a short pump-up time constant of 2.2 h. Its first deployment in an in situ half-polarized neutron diffraction experiment on a magnetic shape memory alloy, Ni–Mn–Ga, revealed changes in magnetization coupled to deformation twinning under compression. With this new capability, VULCAN has become the first diffractometer at SNS capable of performing polarized neutron experiments, opening new opportunities to study a wider range of magnetism-related material behaviors under varied thermal, mechanical, electrical, and/or magnetic fields.

Fu, Sichao [ORNL] (ORCID:0009000846771640)↗
DOE OSTI2020

Algorithms in Diffraction Profile Analysis

This chapter introduces several approaches to crystallographic structure refinement from diffraction profile data including the Rietveld method, global optimization methods, and Bayesian modeling. First, the Rietveld method and related nonlinear least squares approaches to analyzing diffraction profiles are briefly discussed. We then review the most common algorithms within global optimization as alternative methods of structure solution: grid search, simulated annealing, and genetic algorithms. As the Rietveld method is the standard tool for analyzing diffraction profile data, we catalogue its challenges and limitations. A Bayesian approach to diffraction profile analysis is presented as an alternative, along with several sampling algorithms including Gibbs sampling, variants of Metropolis sampling, Hamiltonian Monte Carlo, and approximate Bayesian computing. These sampling algorithms are applied to the fitting of a neutron diffraction profile from a National Institute of Standards and Technology silicon standard reference material, and their results are compared.

Singh, Susheela↗
DOE OSTI2025

Structure of molten ytterbium aluminum garnet

Rare earth aluminum garnets are important materials in optical, dielectric, and thermal barrier applications. To advance the understanding of their melt processing and glass forming ability, we report the atomic structure of molten Yb 3 Al 5 O 12 over 1770–2630 K, which spans the equilibrium and supercooled liquid regimes. The melt density at T m = 2283 K is 5.50 g cm –3 , measured via silhouette imaging of electrostatically levitated drops over 1010–2420 K. Four separate structure measurements were made with aerodynamically levitated melts using x-ray and neutron diffraction with isotope substitution of Yb ( 172 Yb, 174 Yb, or nat Yb). Empirical potential structure refinement models were developed, which are in excellent agreement with the experiments. Coordination environments for Al–O are predominantly 4- and 5-coordinate, with a mean coordination of n AlO = 4.43(8), while Yb–O environments mostly range from 5- to 8-coordinate, with n YbO = 6.26(8). The cation–oxygen polyhedra are connected primarily by corner-sharing, with edge-sharing constituting up to ~1/3 of the connectivity among polyhedra with Yb or higher-coordinated Al–O. Structurally, the –Al–O– network in molten Yb 3 Al 5 O 12 appears conducive to glass formation: n OAl = 1.85(3), there are 1.86 AlO x –AlO x connections per Al atom (e.g., a mixture of Q 3 and Q 4 units), and the modal ring size is six cations. These characterize a network that is somewhat less constrained compared to SiO 2 glass, yet Yb 3 Al 5 O 12 cannot be quenched into crystal-free glass. Here, aluminum garnet compositions with larger rare earth cations do form glass, so these characterizations help reveal the structural characteristics corresponding to the limit of glass forming ability in rare earth aluminates.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Manipulation of magnetostructural transition and realization of prominent multifunctional magnetoresponsive properties in NiCoMnIn alloys

Promising multifunctional magnetoresponsive effects such as magnetoresistance, magnetostrain, and the magnetocaloric effect have recently been extensively studied in Ni-Mn-based metamagnetic shape memory alloys, but large reversible magnetoresponsive effects are usually obtained under high magnetic fields, which is an obstacle for practical applications. In this work, through manipulating magnetostructural transition, we achieved large reversible magnetoresponsive effects under a relatively low magnetic field of 3 T in a Ni-Co-Mn-In alloy. By systematically tuning the Mn/In ratio and Co substitution, an optimum composition Ni 49 Co 3 Mn 34 In 14 with a low thermal hysteresis (8 K), a narrow transformation interval (7 K) and a high sensitivity of transformation temperature to field change (6KT -1 ), was obtained. Good geometric compatibility between austenite and martensite was revealed by in situ synchrotron high-energy x-ray diffraction experiment, which accounts for the low hysteresis and narrow transformation interval. A reversible transformation between pure austenite and pure martensite is induced by a relatively low field of 3 T, which was directly evidenced by in situ neutron diffraction experiments. As a result, a large reversible magnetocaloric effect with entropy change of 16.5Jkg -1 K -1 , a large reversible magnetostrain of 0.26%, and a large reversible magnetoresistance of 60%, under a relatively low field of 3 T, were simultaneously achieved. These reversible magnetoresponsive effects are comparable to the maximum reversible values obtained under high fields in other Ni-Mn-based alloys, but the magnetic field we applied is much lower. This research may guide the design of metamagnetic shape memory alloys with low-field-induced magnetoresponsive properties for magnetic refrigeration, magnetic sensing, and magnetic recording applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Revealing the relationship between liquid fragility and medium-range order in silicate glasses

Despite decades of studies, the nature of the glass transition remains elusive. In particular, the sharpness of the dynamical arrest of a melt at the glass transition is captured by its fragility. Here, we reveal that fragility is governed by the medium-range order structure. Based on neutron-diffraction data for a series of aluminosilicate glasses, we propose a measurable structural parameter that features a strong inverse correlation with fragility, namely, the average medium-range distance (MRD). We use in-situ high-temperature neutron-scattering data to discuss the physical origin of this correlation. We argue that glasses exhibiting low MRD values present an excess of small network rings. Such rings are unstable and deform more readily with changes in temperature, which tends to increase fragility. These results reveal that the sharpness of the dynamical arrest experienced by a silicate glass at the glass transition is surprisingly encoded into the stability of rings in its network.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Magnetic ground state and magnetic excitations in black dioptase Cu 6 Si 6 O 18

The low-temperature magnetic properties and magnetic structure of fully dehydrated black dioptase Cu 6 Si 6 O 18 have been studied by single-crystal neutron diffraction and magnetization measurements in magnetic fields up to 30 T. Here, the intrachain J c and interchain J a b interactions as well as the anisotropy of the exchange coupling J c have been determined using inelastic neutron-scattering techniques. Zero-field antiferromagnetic order at T N = 6.7 K can be described by a commensurate propagation vector of k = ( 0 , 0 , 3 / 2 ) with respect to the hexagonal R 3 ¯ :H unit cell. The Cu magnetic moments are aligned antiferromagnetically along the c axis with about 12 ° tilt and are coupled ferromagnetically between the chains. The high-field magnetization measurements provide strong evidence for the presence of a spin-flop phase above 8 T. We found that J c in black dioptase is significantly increased, while J a b is much weaker compared to its counterpart, green dioptase Cu 6 [ Si 6 O 18 ] 6 H 2 O . We suggest that black dioptase behaves like a nearly ideal S = 1 / 2 antiferromagnetic Heisenberg spiral chain with enhanced quantum fluctuations and weak spinon confinement J a b / J c ~ 0.02 .

1-dimensional spin chains↗
DOE OSTI2026

Part-scale evolution of fine-scale microstructural heterogeneity in solid-state additive manufacturing

Current solid-state additive manufacturing methods, refined through costly and time-consuming trial and error, have spurred interest in computational models that replicate material behavior under typical thermomechanical conditions (e.g., strain-rate ~ 102 s−1). These models, however, struggle to capture time-dependent microstructural evolution. In this work, Additive Friction-Stir Deposition (AFSD) is used as a representative case study for part-scale quantification of microstructure evolution at a fine spatial resolution (200 μm) by examining a liquid-nitrogen-cooled stop-action build via energy-dispersive X-ray diffraction coupled with a multi-channel detector. These results inform modeling efforts by linking process asymmetry to stored plastic strain, residual elastic strain, and texture development, and unlike current state-of-the-art characterization methods (e.g., EBSD or neutron diffraction), this approach provides both the spatial resolution and collection efficiency necessary to quantify fine-scale microstructural heterogeneity over large component volumes. As such, this technique provides essential validation data for computational models, e.g., crystal plasticity, enabling future prediction of heterogeneous behavior in AFSD and other additive manufacturing processes.

Franz, Cole [ORNL] (ORCID:0000000213465881)↗
NASA NTRS1998

The Growth of Protein Crystals Using McDUCK

Most of the current microgravity crystal growth hardware is optimized to produce crystals within the limited time available on orbit. This often results in the actual nucleation and growth process being rushed or the system not coming to equilibrium within the limited time available. Longer duration hardware exists, but one cannot readily pick out crystals grown early versus those which nucleated and grew more slowly. We have devised a long duration apparatus, the Multi-chamber Dialysis Unit for Crystallization Kinetics, or McDUCK. This apparatus-is a series of protein chambers, stacked upon a precipitant reservoir chamber. All chambers are separated by a dialysis membrane, which serves to pass small molecules while retaining the protein. The volume of the Precipitant chamber is equal to the sum of the volumes of the protein chamber. In operation, the appropriate chambers are filled with precipitant solution or protein solution, and the McDUCK is placed standing upright, with the precipitant chamber on the bottom. The precipitant diffuses upwards over time, with the time to reach equilibration a function of the diffusivity of the precipitant and the overall length of the diffusion pathway. Typical equilibration times are approximately 2-4 months, and one can readily separate rapid from slow nucleation and growth crystals. An advantage on Earth is that the vertical precipitant concentration gradient dominates that of the solute, thus dampening out solute density gradient driven convective flows. However, large Earth-grown crystals have so far tended to be more two dimensional. Preliminary X-ray diffraction analysis of lysozyme crystals grown in McDUCK have indicated that the best, and largest, come from the middle chambers, suggesting that there is an optimal growth rate. Further, the improvements in diffraction resolution have been better signal to noise ratios in the low resolution data, not an increase in resolution overall. Due to the persistently large crystals grown we are currently proposing McDUCK for the growth of macromolecule crystals for use in neutron diffraction studies.

Ewing, Felicia↗