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At least 433 records · Page 24

On-Chip Microfluidic Components for In Situ Analysis, Separation, and Detection of Amino Acids

The Astrobiology Analytical Laboratory at GSFC has identified amino acids in meteorites and returned cometary samples by using liquid chromatography-electrospray ionization time-of-flight mass spectrometry (LCMS). These organic species are key markers for life, having the property of chirality that can be used to distinguish biological from non-biological amino acids. One of the critical components in the benchtop instrument is liquid chromatography (LC) analytical column. The commercial LC analytical column is an over- 250-mm-long and 4.6-mm-diameter stainless steel tube filled with functionized microbeads as stationary phase to separate the molecular species based on their chemistry. Miniaturization of this technique for spaceflight is compelling for future payloads for landed missions targeting astrobiology objectives. A commercial liquid chromatography analytical column consists of an inert cylindrical tube filled with a stationary phase, i.e., microbeads, that has been functionalized with a targeted chemistry. When analyte is sent through the column by a pressurized carrier fluid (typically a methanol/ water mixture), compounds are separated in time due to differences in chemical interactions with the stationary phase. Different species of analyte molecules will interact more strongly with the column chemistry, and will therefore take longer to traverse the column. In this way, the column will separate molecular species based on their chemistry. A lab-on-chip liquid analysis tool was developed. The microfluidic analytical column is capable of chromatographically separating biologically relevant classes of molecules based on their chemistry. For this analytical column, fabrication, low leak rate, and stationary phase incorporation of a serpentine microchannel were demonstrated that mimic the dimensions of a commercial LC column within a 5 10 1 mm chip. The microchannel in the chip has a 75- micrometer-diameter oval-shaped cross section. The serpentine microchannel has four different lengths: 40, 60, 80, and 100 mm. Functionized microbeads were filled inside the microchannel to separate molecular species based on their chemistry.

Zheng, Yun↗

Toward Automatic Verification of Goal-Oriented Flow Simulations

We demonstrate the power of adaptive mesh refinement with adjoint-based error estimates in verification of simulations governed by the steady Euler equations. The flow equations are discretized using a finite volume scheme on a Cartesian mesh with cut cells at the wall boundaries. The discretization error in selected simulation outputs is estimated using the method of adjoint-weighted residuals. Practical aspects of the implementation are emphasized, particularly in the formulation of the refinement criterion and the mesh adaptation strategy. Following a thorough code verification example, we demonstrate simulation verification of two- and three-dimensional problems. These involve an airfoil performance database, a pressure signature of a body in supersonic flow and a launch abort with strong jet interactions. The results show reliable estimates and automatic control of discretization error in all simulations at an affordable computational cost. Moreover, the approach remains effective even when theoretical assumptions, e.g., steady-state and solution smoothness, are relaxed.

Simulations↗

Improving Climate Projections by Understanding How Cloud Phase affects Radiation

Whether a cloud is predominantly water or ice strongly influences interactions between clouds and radiation coming down from the Sun or up from the Earth. Being able to simulate cloud phase transitions accurately in climate models based on observational data sets is critical in order to improve confidence in climate projections, because this uncertainty contributes greatly to the overall uncertainty associated with cloud-climate feedbacks. Ultimately, it translates into uncertainties in Earth's sensitivity to higher CO2 levels. While a lot of effort has recently been made toward constraining cloud phase in climate models, more remains to be done to document the radiative properties of clouds according to their phase. Here we discuss the added value of a new satellite data set that advances the field by providing estimates of the cloud radiative effect as a function of cloud phase and the implications for climate projections.

radiation↗

Multidisciplinary Optimization of a Turboelectric Tiltwing Urban Air Mobility Aircraft

Urban air taxis, also known as urban air mobility (UAM) vehicles, are anticipated to be an area of significant market growth in the near future. These vehicles are typically vertical take-off and landing (VTOL) designs which are capable of carrying 1 to 30 passengers in an intra-urban environment with flights of less than 50 nautical miles. Development of UAM vehicles and their integration into the airspace will be enabled by advancements in a number of areas including electrified propulsion systems, structures, acoustics, automation, and controls. However, the strong multidisciplinary interactions for these unique vehicles presents a significant new design challenge. This work describes the development of a multidisciplinary analysis and optimization environment which can be used to support the conceptual design of these UAM vehicles, using efficient gradient based optimization with analytic derivatives. The tools included in this multidisciplinary analysis model the aircraft trajectory, vehicle aerodynamics, structures, and electrified propulsion system. The multidisciplinary environment created in this research is unique in that all the physics tools are tightly integrated together, with the trajectory model directly calling the aerodynamics, structures, and propulsion models. This multidisciplinary analysis environment is then demonstrated in the design optimization of a turboelectric tiltwing UAM vehicle concept.

Hendricks, Eric S.↗

Modelling climate change impacts on maize yields under low nitrogen input conditions in sub‐Saharan Africa

Smallholder farmers in sub‐Saharan Africa (SSA) currently grow rainfed maize with limited inputs including fertilizer. Climate change may exacerbate current production constraints. Crop models can help quantify the potential impact of climate change on maize yields, but a comprehensive multimodel assessment of simulation accuracy and uncertainty in these low‐input systems is currently lacking. We evaluated the impact of varying [CO2], temperature and rainfall conditions on maize yield, for different nitrogen (N) inputs (0, 80, 160 kg N/ha) for five environments in SSA, including cool subhumid Ethiopia, cool semi‐arid Rwanda, hot subhumid Ghana and hot semi‐arid Mali and Benin using an ensemble of 25 maize models. Models were calibrated with measured grain yield, plant biomass, plant N, leaf area index, harvest index and in‐season soil water content from 2‐year experiments in each country to assess their ability to simulate observed yield. Simulated responses to climate change factors were explored and compared between models. Calibrated models reproduced measured grain yield variations well with average relative root mean square error of 26%, although uncertainty in model prediction was substantial (CV = 28%). Model ensembles gave greater accuracy than any model taken at random. Nitrogen fertilization controlled the response to variations in [CO2], temperature and rainfall. Without N fertilizer input, maize (i) benefited less from an increase in atmospheric [CO2], (ii) was less affected by higher temperature or decreasing rainfall and (iii) was more affected by increased rainfall because N leaching was more critical. The model inter-comparison revealed that simulation of daily soil N supply and N leaching plays a crucial role in simulating climate change impacts for low-input systems. Climate change and N input interactions have strong implications for the design of robust adaptation practices across SSA, because the impact of climate change will be modified if farmers intensify maize production with more mineral fertilizer.

Crop simulation model↗

Performance Analysis of Optimized STARC-ABL Designs Across the Entire Mission Profile

Boundary layer ingestion (BLI) offers the potential for significant fuel burn reduction by exploiting strong aeropropulsive interactions. NASA’s STARC–ABL concept uses an electri- cally powered BLI tail cone thruster on what is otherwise a traditional airframe. Despite the traditional airframe of this configuration, aeropropulsive integration is critical to the perfor- mance of the BLI propulsor. Furthermore, due to being electrically powered, the fan pressure ratio and efficiency of the BLI tail cone thruster vary widely across the flight envelope, and this variation in fan performance must be accounted for with the aeropropulsive integration of the BLI system. Thus, accurate performance prediction for this novel propulsion configu- ration requires the use of a coupled aeropropulsive model across the flight envelope. In this work, we analyze the off-design performance of 18 optimized designs using an aeropropulsive model that is built with the OpenMDAO framework to couple 3-D RANS CFD simulations to 1-D thermodynamic cycle analyses. The designs are created via high-fidelity aeropropulsive design optimizations that span a range of fan pressure ratio and thrust values at the cruise conditions for the STARC-ABL concept, which was chosen as the aerodynamic design point for the propulsor. Performance analyses we present herein are then performed at a range of off-design flight conditions that span the flight envelope, including low-speed and low-altitude flight conditions. This study provides the first set of high-fidelity data for the STARC–ABL configuration at off-design conditions, and the results quantify the power savings through BLI compared to a traditional propulsion system across the entire mission profile.

optimization↗

Secure Mass Measurements From Transit Timing: 10 Kepler Exoplanets Between 3 and 8M⊕ with Diverse Densities and Incident Fluxes

We infer dynamical masses in eight multiplanet systems using transit times measured from Keplerʼs complete dataset, including short-cadence data where available. Of the 18 dynamical masses that we infer, 10 pass multiple tests for robustness. These are in systems Kepler-26 (KOI-250), Kepler-29 (KOI-738), Kepler-60 (KOI-2086), Kepler-105 (KOI-115), and Kepler-307 (KOI-1576). Kepler -105 c has a radius of 1.3R⊕ and a density consistent with an Earth-like composition. Strong transit timing variation (TTV) signals were detected from additional planets, but their inferred masses were sensitive to outliers or consistent solutions could not be found with independently measured transit times, including planets orbiting Kepler-49 (KOI-248), Kepler-57 (KOI-1270), Kepler-105 (KOI-115), and Kepler-177 (KOI-523). Nonetheless, strong upper limits on the mass of Kepler-177 cimply an extremely low density of 0.1 g cm−3. In most cases, individual orbital eccentricities were poorly constrained owing to degeneracies in TTV inversion. For five planet pairs in our sample, strong secular interactions imply a moderate to high likelihood of apsidal alignment over a wide range of possible eccentricities. We also find solutions for the three planets known to orbit Kepler-60 in a Laplace-like resonance chain. However, nonlibrating solutions also match the transit timing data. For six systems, we calculate more precise stellar parameters than previously known, enabling useful constraints on planetary densities where we have secure mass measurements. Placing these exoplanets on the mass–radius diagram, we find that a wide range of densities is observed among sub-Neptune-mass planets and that the range in observed densities is anticorrelated with incident flux.

Stars individual↗

Secure Mass Measurements From Transit Timing: 10 Kepler Exoplanets Between 3 and 8 M⊕ With Diverse Densities and Incident Fluxes

We infer dynamical masses in eight multiplanet systems using transit times measured from Keplerʼs complete data set, including short-cadence data where available. Of the 18 dynamical masses that we infer, 10 pass multiple tests for robustness. These are in systems Kepler-26 (KOI-250), Kepler-29 (KOI-738), Kepler-60 (KOI-2086), Kepler-105 (KOI-115), and Kepler-307 (KOI-1576). Kepler-105 c has a radius of 1.3 R(sub ⨁) and a density consistent with an Earth-like composition. Strong transit timing variation (TTV) signals were detected from additional planets, but their inferred masses were sensitive to outliers or consistent solutions could not be found with independently measured transit times, including planets orbiting Kepler-49 (KOI-248), Kepler-57 (KOI-1270), Kepler-105 (KOI-115), and Kepler-177 (KOI-523). Nonetheless, strong upper limits on the mass of Kepler-177 c imply an extremely low density of ∽0.1 g cm(exp −3). In most cases, individual orbital eccentricities were poorly constrained owing to degeneracies in TTV inversion. For five planet pairs in our sample, strong secular interactions imply a moderate to high likelihood of apsidal alignment over a wide range of possible eccentricities. We also find solutions for the three planets known to orbit Kepler-60 in a Laplace-like resonance chain. However, nonlibrating solutions also match the transit timing data. For six systems, we calculate more precise stellar parameters than previously known, enabling useful constraints on planetary densities where we have secure mass measurements. Placing these exoplanets on the mass–radius diagram, we find that a wide range of densities is observed among sub-Neptune-mass planets and that the range in observed densities is anticorrelated with incident flux.

Individual stars↗

Construction of an Exact Pressure-Equilibrium Scheme for the Five-Equation Two-Phase Flow Model With Thermal Relaxation

Numerical simulation of compressible multiphase flows based on the four-equation (homogeneous relaxation) model is known to suffer from two fundamental difficulties with (a) wave propagation and (b) pressure equilibrium preservation. First, the mixture sound speed exhibits non-monotonic dependency with respect to the volume fraction, which leads to robustness issues in the resolution of shocks and acoustic wave propagation across two-phase regions. This difficulty can be mitigated by solving Allaire’s five-equation model augmented with infinitely fast phasic temperature equilibrium, from which solutions of the four-equation model can be recovered. However, when temperature is non-uniform, this augmented five-equation formulation still fails to preserve pressure equilibrium across material interfaces. In this work, we propose a fully conservative numerical scheme that exactly preserves pressure equilibrium at the discrete level for the augmented five-equation model, for arbitrary initial distributions of temperature and volume fraction. Combined with the monotonic sound speed property of the five-equation formulation, the proposed pressure-equilibrium preserving scheme significantly improves robustness in the presence of strong multiphase interactions, including shock–interface interactions and advection of material interfaces.

ESG↗

Development of Hairpin Vortices in Turbulent Spots and End-Wall Transition

The end-stage phase of boundary layer transition is characterized by the development of hairpin-like vortices which evolve rapidly into patches of turbulent behavior. In general, the characteristics of the evolution form this hairpin stage to the turbulent stage is poorly understood, which has prompted the present experimental examination of hairpin vortex development and growth processes. Two topics of particular relevance to the workshop focus will be covered: 1) the growth of turbulent spots through the generatio and amalgamation of hairpin-like vortices, and 2) the development of hairpin vortices during transition in an end-wall junction flow. Brief summaries of these studies are described below. Using controlled generation of hairpin vortices by surface injection in a critical laminar boundary layer, detailed flow visualization studies have been done of the phases of growth of single hairpin vortices, from the initial hairgin generation, through the systematic generation of secondary hairpin-like flow structures, culminating in the evolution to a turbulent spot. The key to the growth process is strong vortex-surface interactions, which give rise to strong eruptive events adjacent to the surface, which results in the generation of subsequent hairpin vortex structures due to inviscid-viscuous interactions between the eruptive events and the free steam fluid. The general process of vortex-surface fluid interaction, coupled with subsequent interactions and amalgamation of the generated multiple hairpin-type vortices, is demonstrated as a physical mechanism for the growth and development of turbulent spots. When a boundary layer flow along a surface encounters a bluff body obstruction extending from the surface (such as cylinder or wing), the strong adverse pressure gradients generated by these types of flows result in the concentration of the impinging vorticity into a system of discrete vortices near the end-wall juncture of the obstruction, with the extensions of the vortices engirdling the obstruction to form "necklace" or "horseshoe" vortices. Recent hydrogen bubble and particle image visualization have shown that as Reynolds number is increased for a laminar approach flow, the flow will become critical, and a destabilization of the necklace vortices results in the development of an azimuthal waviness, or "kinks", in the vortices. These vortex kinks are accentuated by Biot-Savart effects, causing portions of a distorted necklace vortex to make a rapid approach to the surface, precipitating processes of localized, three-dimensional surface interactions. These interactions result in the rapid generation, focussing, and ejection of thin tongues of surface fluid, which rapidly roll-over and appear as hairpin vortices in the junction region. Subsequent amalgamation of these hairpin vortices with the necklace vortices produces a complex transitional-type flow. A presentation of key results from both these studies will be done, emphasizing both the ubiquity of such hairpin-type flow structures in manifold transitional-type flows, and the importance of vortex-surface interactions n the development of hairpin vortices.

Smith, Charles R.↗

Interaction between a magnetized plasma flow and a strongly magnetized celestial body with an ionized atmosphere - Energetics of the magnetosphere

Findings on the interaction between a magnetized plasma flow and a strongly magnetized celestial body are described, emphasizing the energetics of the magnetosphere and some astrophysical implications. It is shown that the interaction between the solar wind and the magnetosphere constitutes a dynamo whose power is modulated by the magnetized plasma flow. The varying with time of the flow speed, the magnetic field magnitude, and the latter's orientation are studied along with the reasons for the variation. The mode of dissipation of the generated power in the magnetosphere is investigated. As a preliminary, the basic solar wind conditions in the heliosphere are analyzed. It is shown how a flare-generated disturbance propagates in the heliosphere and how the dynamo power is modulated as the solar wind disturbance collides with the magnetosphere. The origin of geomagnetic storms and auroral phenomena in the dissipation of power in the magnetosphere is detailed.

Akasofu, S.-I.↗

Effects of Unsteady Flow Interactions on the Performance of a Highly-Loaded Transonic Compressor Stage

The primary focus of this paper is to investigate the loss sources in an advanced GE transonic compressor design with high reaction and high stage loading. This advanced compressor has been investigated both experimentally and analytically in the past. The measured compressor efficiency is significantly lower than the efficiency calculated with various existing tools based on RANS and URANS. The general understanding is that some important flow physics in this modern compressor design are not represented in the current tools. To pinpoint the source of the efficiency miss, an advanced test with detailed flow traverse was performed for the front one and a half stage at the NASA Glenn Research Center. In the present paper, a Large Eddy Simulation (LES) is employed to determine whether a higher-fidelity simulation can pick up any additional flow physics that can explain past efficiency miss with RANS and URANS. The results from the Large Eddy Simulation were compared with the NASA test results and the GE interpretation of the test data. LES calculates lower total pressure and higher total temperature on the pressure side of the stator, resulting in large loss generation on the pressure side of the stator. On the other hand, existing tools based on the RANS and URANS do not calculate this high total temperature and low total pressure on the pressure side of the stator. The calculated loss through the stator from LES seems to match the measured data and the GE data interpretation. Detailed examination of the unsteady flow field from LES indicates that the accumulation of high loss near the pressure side of the stator is due to the interaction of the rotor wake with the stator blade. The strong rotor wake interacts quite differently with the pressure side of the stator than with the suction side of the stator blade. The concave curvature on the pressure side of the stator blade increases the mixing of the rotor wake with the pressure side boundary layer significantly. On the other hand, the convex curvature on the suction side of the stator blade decreases the mixing and the suction side blade boundary layer remains thin. The jet velocity in the rotor wake in the stator frame seems to magnify the curvature effect in addition to inviscid redistribution of wake fluid toward the pressure side of the blade.

LES↗

CME Interaction with Large-Scale Coronal Structures

This talk presents some key observations that highlight the importance of CME interaction with other large scale structures such as CMEs and coronal holes . Such interactions depend on the phase of the solar cycle: during maximum, CMEs are ejected more frequently, so CME-CME interaction becomes dominant. During the rise phase, the polar coronal holes are strong, so the interaction between polar coronal holes and CMEs is important, which also leads to a possible increase in the number of interplanetary CMEs observed as magnetic clouds. During the declining phase, there are more equatorial coronal holes, so CMEs originating near these coronal holes are easily deflected. CMEs can be deflected toward and away from the Sun-Earth line resulting in interesting geospace consequences. For example, the largest geomagnetic storm of solar cycle 23 was due to a CME that was deflected towards the Sun-earth line from E22. CME deflection away from the Sun-Earth line diminishes the chance of a CME producing a geomagnetic storm. CME interaction in the coronagraphic field of view was first identified using enhanced radio emission, which is an indication of acceleration of low energy (approx.10 keV) electrons in the interaction site. CME interaction, therefore, may also have implications for proton acceleration. For example, solar energetic particle events typically occur with a higher intensity, whenever multiple CMEs occur in quick succession from the same source region. CME deflection may also have implications to the arrival of energetic particles to earth because magnetic connectivity may be changed by the interaction. I illustrate the above points using examples from SOHO, STEREO, Wind, and ACE data .

Gopalswarny, Nat↗

Strong Constraints on Aerosol-Cloud Interactions from Volcanic Eruptions

Aerosols have a potentially large effect on climate, particularly through their interactions with clouds, but the magnitude of this effect is highly uncertain. Large volcanic eruptions produce sulfur dioxide, which in turn produces aerosols; these eruptions thus represent a natural experiment through which to quantify aerosol-cloud interactions. Here we show that the massive 2014-2015 fissure eruption in Holuhraun, Iceland, reduced the size of liquid cloud droplets - consistent with expectations - but had no discernible effect on other cloud properties. The reduction in droplet size led to cloud brightening and global-mean radiative forcing of around minus 0.2 watts per square metre for September to October 2014. Changes in cloud amount or cloud liquid water path, however, were undetectable, indicating that these indirect effects, and cloud systems in general, are well buffered against aerosol changes. This result will reduce uncertainties in future climate projections, because we are now able to reject results from climate models with an excessive liquid-water-path response.

atmospheric science↗

Plasma wave observations at Comets Giacobini-Zinner and Halley

Cometary plasma wave measurements in the spectral range from the lower hybrid resonance frequency to the electron plasma frequency are presented for the Comets Giacobini-Zinner and Halley. The results show the significant role played by plasma physics in controlling the solar wind interaction with a comet. A variety of very strong wave-particle interactions are found to develop in the entire region where strong mass loading occurs, and additional important plasma instabilities are found in the vast region where newly-born ions are picked up by the solar wind. The difficulties involved in making plasma wave measurements in the presence of large fluxes of dust particles impacting the spacecraft at high speed are discussed.

Scarf, Frederick↗

Colloidal characterization of silicon nitride and silicon carbide

The colloidal behavior of aqueous ceramic slips strongly affects the forming and sintering behavior and the ultimate mechanical strength of the final ceramic product. The colloidal behavior of these materials, which is dominated by electrical interactions between the particles, is complex due to the strong interaction of the solids with the processing fluids. A surface titration methodology, modified to account for this interaction, was developed and used to provide fundamental insights into the interfacial chemistry of these systems. Various powder pretreatment strategies were explored to differentiate between true surface chemistry and artifacts due to exposure history. The colloidal behavior of both silicon nitride and carbide is dominated by silanol groups on the powder surfaces. However, the colloid chemistry of silicon nitride is apparently influenced by an additional amine group. With the proper powder treatments, silicon nitride and carbide powder can be made to appear colloidally equivalent. The impact of these results on processing control will be discussed.

Feke, Donald L.↗

Nucleation and Growth According to Lysozyme

How does one take a molecule, strongly asymmetric in both shape and charge distribution, and assemble it into a crystal? We propose a model for the nucleation and crystal growth process for tetragonal lysozyme that may be very germane to other monomeric proteins. The first species formed is postulated to be a dimer. Through repeating associations involving the same intermolecular interactions this becomes the 4(sub 3) helix, that in turn serves as the basic unit for nucleation and crystal growth. High salt attenuates surface charges while promoting hydrophobic interactions. Symmetry facilitates helix self-association. Assembly stability is enhanced when a four helix structure is obtained, with each bound to two neighbors. Only two unique interactions are required. The first are those for helix formation, where the dominant interaction is the intermolecular bridging anion. The second is the anti-parallel side-by-side helix-helix interaction, guided by alternating pairs of symmetry related salt bridges along each side. At this stage all eight unique positions of the P4(sub 3)2(sub 1)2(sub 1) unit cell are filled. From the above, the process is one of a) attenuating the most strongly interacting groups, such that b) the molecules begin to self-associate in defined patterns, so that c) symmetry is obtained, which d) propagates as a growing crystal. Simple and conceptually obvious in hindsight, this tells much about what we are empirically doing when we crystallize macromolecules. By adjusting the solution parameters we are empirically balancing the intermolecular interactions, preferentially attenuating the dominant strong (for lysozyme the charged groups) while strengthening the lesser strong (hydrophobic) interactions. Lysozyme is atypical in the breadth of its crystallization conditions; many proteins only crystallize under narrowly defined conditions, pointing to the criticality of the empirical balancing process. Lack of a singularly defined association pathway leads to formation of multiple species, i.e., amorphous precipitation. Weak interactions, such as hydrogen bonds, are promiscuous, serving to strengthen rather than define specific interactions. Participation in an interaction sequesters that surface from subsequent interactions, and we expect the strongest bonds to form first. When two molecules self associate the resulting species will have an axis of symmetry. Subsequent interactions between two associated species having equivalent interactions will also have symmetry. Only a few unique sets of interactions are required to give any of the commonly found space groups for monomeric proteins. This model and what it suggests will be discussed.

Pusey, Marc L.↗

A Proposed Model for Protein Crystal Nucleation and Growth

How does one take a molecule, strongly asymmetric in both shape and charge distribution, and assemble it into a crystal? We propose a model for the nucleation and crystal growth process for tetragonal lysozyme, based upon fluorescence, light, neutron, and X-ray scattering data, size exclusion chromatography experiments, dialysis kinetics, AFM, and modeling of growth rate data, from this and other laboratories. The first species formed is postulated to be a 'head to side' dimer. Through repeating associations involving the same intermolecular interactions this grows to a 4(sub 3) helix structure, that in turn serves as the basic unit for nucleation and subsequent crystal growth. High salt attenuates surface charges while promoting hydrophobic interactions. Symmetry facilitates subsequent helix-helix self-association. Assembly stability is enhanced when a four helix structure is obtained, with each bound to two neighbors. Only two unique interactions are required. The first are those for helix formation, where the dominant interaction is the intermolecular bridging anion. The second is the anti-parallel side-by-side helix-helix interaction, guided by alternating pairs of symmetry related salt bridges along each side. At this stage all eight unique positions of the P4(sub3)2(sub 1),2(sub 1) unit cell are filled. The process is one of a) attenuating the most strongly interacting groups, such that b) the molecules begin to self-associate in defined patterns, so that c) symmetry is obtained, which d) propagates as a growing crystal. Simple and conceptually obvious in hindsight, this tells much about what we are empirically doing when we crystallize macromolecules. By adjusting the growth parameters we are empirically balancing the intermolecular interactions, preferentially attenuating the dominant strong (for lysozyme the charged groups) while strengthening the lesser strong (hydrophobic) interactions. In the general case for proteins the lack of a singularly defined association pathway may lead to formation of multiple species, i.e., amorphous precipitation. Weak interactions, such as hydrogen bonds, are promiscuous, serving to strengthen rather than define specific interactions. Participation in an interaction sequesters that surface from subsequent interactions, and we expect the strongest bonds to form first. This model, its basis, how it fits into the currently understood osmotic second virial coefficient approach to crystallization, and what it suggests will be discussed.

Pusey, Marc↗