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At least 775 records · Page 43

Reflection and refraction of directrons at the interface

Reflection and refraction are ubiquitous phenomena with extensive applications, yet minimizing energy loss and information distortion during these processes remains a significant challenge. This study examines the behavior of structurally stable solitons, known as directrons, in nematic liquid crystals interacting with an interface where the director field orientation changes, despite identical physical properties, external potentials, and boundary anchoring in the two regions. During reflection and refraction, the directrons maintain nearly constant structure and velocity, ensuring energy conservation and information integrity. Microscopic analyses of the director field and macroscopic evaluations of effective potential are employed to elucidate the dependence of reflection and refraction probabilities on the directron’s incident angle and the orientation difference across the interface. The findings provide valuable insights into the dynamics of solitary waves in structured liquid crystal systems, offering significant implications for the development of tunable photonic devices, reconfigurable optical systems, and nanoscale material engineering.

Science & Technology - Other Topics↗

Tuning conformational structures of imidazolium ionenes with 1-ethyl-3-methylimidazolium ionic liquid solvents

In this report the structures and conformations of imidazolium ionenes solvated in 1-ethyl-3-methylimidazolium ionic liquids (ILs) ([C 2 mim + ][X - ]) are investigated using molecular dynamics simulations. Four different ionenes poly(decylimidazolium) (PD 10 ), poly(tetraethyleneglycolimidazolium) (PE 10 ), alternating copolymer (P(ED) 5 ), and a block copolymer PE 5 D 5 are immersed in [C 2 mim + ][X - ], where [X - ] = thiocyanate [SCN - ], tetrafluoroborate [BF 4 - ], and trifluoromethanesulfonate [TfO - ]. The radius of gyration indicates that the ionene chains are more extended when immersed in [TfO - ] compared to [BF 4 - ] and [SCN - ], while the solvent accessible surface area shows that PE 10 is the most contracted ionene among all systems. The electrostatic interactions between the ionenes and the ILs are very consistent with the inherent electrostatic characteristics of the different anions, which can be quantified using the Ionic Polarity Index (IPI). The ionene configurations and dynamics strongly depend on the backbone functionality and architecture of the chain, due to the balance between the inter- and intra-molecular interactions in these systems.

42 ENGINEERING↗

Functional, Hierarchical Colloidal Liquid Crystal Gels and Liquid Crystal Elastomers Nanocomposites. Final Report

Biological systems rely on a hierarchy of dynamic, complex and reconfigurable compartments to carry out functions essential for life. This hierarchical organization serves as an amplifier that allows highly localized, molecular events to propagate into the mesoscale, resulting in dynamic functional properties of biological systems that have not yet been fully realized in synthetic material designs. We pursued a program of research in which we recreated such principles using synthetic liquid crystals (LC) as a versatile platform. We elucidated new hierarchical design strategies that heavily leverage surface anchoring, coexisting phases and interfacial tension gradient to realize equilibrium and non-equilibrium, dynamic mesoscale phenomena in the context of micrometer-sized LC droplets containing multiple compartments. Specifically, we unmasked how equilibrium and dynamical phenomena emerged from hierarchical organizations in reconfigurable, thermotropic liquid crystalline assemblies. The long-term impact of the project is to advance new hierarchical designs of complex soft matter systems in which biomimetic principles, including the propagation of events or information over multiple temporal and spatial scales, are enacted in a facile manner.

36 MATERIALS SCIENCE↗

Results of Liquid Motion Experiment Analyzed

About half of all scientific and commercial spacecraft spin during some part of their mission. Although spinning has many benefits (increasing stability, controlling the location of liquid propellants, and distributing solar heat loads), it also creates problems because a precession (or wobble) motion is unavoidable. For modern spacecraft, by far the largest source of wobble is energy dissipation in the liquid of partially filled tanks. The liquid s energy dissipation cannot, however, be quantified adequately by any ground test. Current analytical models are also inadequate because fundamental data on fluid motion in low gravity are needed to validate them. Consequently, spacecraft attitude-control systems are designed and operated very conservatively. Nonetheless, spacecraft often still perform poorly in orbit, and some have been lost because of a rapid increase of the wobble rate. The Liquid Motion Experiment (LME) was designed to provide spacecraft designers accurate data on the wobble dynamics of spacecraft that contain large quantities of mobile liquids. LME, which was flown on the space shuttle mission STS-84, was built under contract to the NASA Lewis Research Center by the Southwest Research Institute of San Antonio, Texas. Major accomplishments for 1998 include reduction of the flight data and publication of the experimental results. LME was essentially a spin table that created a realistic nutation motion of scale-model tanks containing liquid. Two spherical and two cylindrical transparent tanks were tested simultaneously, and three sets of such tanks were employed to vary liquid viscosity, fill level, and propellant management device (PMD) design. All the tanks were approximately 4.5 in. in diameter. The primary test measurements were the radial and tangential torques exerted on the tanks by the liquid. These torques could not be measured on the ground because of the masking effects of gravity.

Chato, David J.↗

First-principles study of grain-boundary wetting in Fe-Σ5(013)[100] tilt boundary

Here, we report an ab-initio study of grain-boundary wetting (GBW) in three systems (Fe/Zn, Fe/Pb & Fe/Bi) on a Σ5(013)[100] tilt grain boundary. An energy-based approach is pursued and adapted to the study of liquid-metal/solid-metal interfaces. We provide a sound calculation of the wettability parameter S (i.e., defined as the minimum energy difference between the unbroken initial state and final state with liquid-metal/solid-metal interfaces). Solid/liquid interfaces are modelled by ab-initio molecular dynamics, also allowing a study of structural effects in the liquid phase near the solid interface. We show how surface energies for solid-metal/liquid-metal interfaces need a special treatment for the liquid-metal chemical potential due to the change in crystallinity near the interface. The computation of the wettability criterion for the three systems correctly predicts the GBW trend known experimentally for these systems. The computations are compared with small-scale TEM experiments on GBW of two systems (Fe/Pb and Fe/Bi) and it is shown to provide reasonable results. This approach offers new perspectives in predicting GBW trends across various systems.

36 MATERIALS SCIENCE↗

Long term storage of cryogens in space

Experimental design procedures leading to the configuration of a space-based cryogenic fluids test system are reported. Large quantities of cryogenic fluids are expected to be required in space for cooling systems, chemical and electrical OTVs, and resupply tankers. The design was guided by the necessity for representative storage and supply systems to be compatible with the Shuttle. Consideration was given to liquid hydrogen, oxygen, methane, and argon containers and concommitant fluid dynamics, thermal, and structural analyses. A 5% initial ullage was included for the liquids, except for methane, which was calculated at 8.9%. The Ar, CH4, and O2 tanks were set at 12.5 cu m, while the H2 tank was 37.4 cu m. The orbital experiment is required to provide actual thermal stabilization lags in a zero-g environment. Details of the Cryogenic Fluid Management Facility test module for flight on board the Shuttle are presented.

Fester, D. A.↗

Liquid helium management for Gravity Probe-B

The Gravity Probe-B (GP-B) experiment will be degraded if accelerations at a proof mass become larger than one ten billionth g. This makes necessary the management of the configuration and dynamical behavior of the large amount of liquid helium present in the GP-B spacecraft dewar. Three approaches to the solution of this problem are discussed. It is concluded that the most promising technique involves the use of baffles into which the liquid helium can be forced during a relatively high spacecraft rotation period, and in which the liquid helium will be held by capillary forces during the operational period when the rotation rate is much lower. Some likely baffle configurations are suggested.

Schafer, C. F.↗

Optical-to-optical interface device

Studies were conducted on the performance of a photoactivated dc liquid crystal light valve. The dc light valve is a thin film device that consists of two transparent electrodes, deposited on glass substrates, that enclose a thin film photoconductor (cadmium sulfide) and a thin layer of a nematic liquid crystal that operates in the dynamic scattering mode. The work was directed toward application of the light valve to high resolution non-coherent light to coherent light image conversion. The goal of these studies was to improve the performance and quality of the already existing dc light valve device and to evaluate quantitatively the properties and performance of the device as they relate to the coherent optical data processing application. As a result of these efforts, device sensitivity was improved by a factor of ten, device resolution was improved by a factor of three, device lifetime was improved by two-orders of magnitude, undesirable secondary liquid crystal scattering effects were eliminated, the scattering characteristics of the liquid crystal were thoroughly documented, the cosmetic quality of the devices was dramatically improved, and the performance of the device was fully documented.

Jacobson, A. D.↗

Neutron Spin–Echo Studies of the Structural Relaxation of Network Liquid ZnCl 2 at the Structure Factor Primary Peak and Prepeak

Using neutron spin-echo spectroscopy, we studied the microscopic structural relaxation of a prototypical network ionic liquid ZnCl 2 at the structure factor primary peak and pre-peak. The results show that the relaxation at the primary peak is faster than the pre-peak and the activation energy is ≈33% higher. Stretched exponential relaxation is observed even at temperatures well above the melting point T m . Surprisingly, the stretching exponent shows a rapid increase upon cooling, especially at the primary peak, where it changes from stretched exponential to simple exponential on approaching T m . Furthermore, these results suggest that the appearance of glassy dynamics typical of the supercooled state even in the equilibrium liquid state of ZnCl 2 as well as the difference of activation energy at the two investigated length scales are related to the formation of network structure on cooling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hydrodynamics of bubble flow through a porous medium with applications to packed bed reactors

Gas-liquid flows through packed bed reactors (PBRs) are challenging to predict due to the tortuous flow paths that fluid interfaces must traverse. Experiments at the International Space Station showed that bubble and pulse flows are predominately observed under microgravity conditions, while the trickle and spray flows observed under terrestrial conditions are not present in microgravity. To understand the physics behind the former experiments, we simulate bubble flow through a PBR for different packing-particle-diameter-based Weber numbers and under different gravity conditions. We demonstrate different pore-scale mechanisms, such as capillary entrapment, buoyancy entrapment, and inertia-induced bubble displacement. Then, we perform a quantitative analysis by introducing new dynamic scales, dependent upon the evolving gas-liquid interfacial area, to understand the dynamic trade-offs between the inertia, capillary, and buoyancy forces on a bubble passing through a PBR. This analysis leads us to define new dimensionless Weber-like numbers that delineate bubble entrapment from bubble displacement.

Pranay P Nagrani↗

Command of active and responsive elastomers by topological defects and patterns

The project resulted in the development of stimuli-responsive elastomer coatings formed by photopolymerized liquid crystal molecules. The molecular orientation of the liquid crystal elastomers is coupled to rubber-like elasticity. The project developed an approach to produce complex patterns of molecular orientation in elastomers by employing photopatterning technique based on plasmonic metamasks that convert unpolarized incoming light into a transmitted light beam with spatially-varying linear polarization. The polarization-modulated light beam aligns the film of azodye molecules, which serves as the substrate for liquid crystal elastomer coating. The alignment of the azodye molecules follows the polarization pattern with a phase shift of the alignment direction by 90 degrees. The azodye substrate imposes orientation of molecules in the adjacent liquid crystal layer which is preserved after the monomers are polymerized into a liquid crystal elastomer. By using differently aligned substrates one could produce various patterns of molecular orientation in the elastomer, which dictate the mechanical properties of the elastomers and their response to external stimuli such as temperature, humidity, and ultraviolet irradiation. In particular, the predesigned molecular orientation produces deterministically defined topography response of the liquid crystal coatings, in which their free surface changes from flat to either locally elevated or locally compressed, depending on whether the pre-inscribed molecular orientation is predesigned with a splay or bend deformation. The research established that the mechanism of this deterministic relation between the dynamic topography and pre-inscribed molecular orientation is rooted in the change of the tensorial order parameter that characterizes the degree of orientational order, and in the contraction/expansion of polymer molecules in response to the order parameter changes. In particular, lowering the order causes contraction of polymer globules. The work demonstrated that the dynamic topography of elastomer coatings with three-dimensional pattern of orientational order includes up and down motion of the material (along the normal to the coating) and also shifts in lateral directions. We demonstrate that the deterministic relationship between the orientational patterns and variations of coatings’ profile is caused by forces that are mathematically equivalent to active forces in the system of “pullers” or “pushers” in active matter, demonstrating universality of the out-of-equilibrium behavior. The project resulted in theoretical models that predictively describe the dynamic response of coatings. The topography of liquid crystal elastomers is sensitive to stimuli such as temperature, ultraviolet irradiation, and humidity. The applicability of the patterned approach to produce dynamic coatings was expanded from nematic elastomers to their smectic counterparts. The project combined a battery of imaging techniques to unveil the dynamic properties of the coatings, ranging from the state-of-the-art dynamic holographic microscopy to fluorescent confocal polarizing microscopy and polscope microscopy. The research uncovered potential applications of dynamic elastomer coatings, such as control placement of colloidal particles, engineering of living tissues with alignment patterns of cells that follow the orientational order of elastomer coatings. The approach developed in the project can be used to design programmable dynamic coatings with functionalities that mimic biological tissues such as skin.

36 MATERIALS SCIENCE↗

Prediction of hemiwicking dynamics in micropillar arrays

Dynamic hemiwicking behavior is observable in both nature and a wide range of industrial applications ranging from biomedical devices to thermal management. We present a semi-analytical modeling framework (without empirical fitting coefficients) to predict transient capillary-driven hemiwicking behavior of a liquid through a nano/microstructured surface, specifically a micropillar array. In our model framework, the liquid domain is discretized into micropillar unit cells to enable the time marching of the hemiwicking front. A simplified linear pressure drop is assumed along the hemiwicking length such that the local meniscus curvature, contact angle, and effective liquid height are determined at each time step in our transient model. This semi-analytical model is validated with experimental data from our own experiments and from published literature for different fluids. Our model predicts hemiwicking dynamics with <20% error over a broad range of micropillar geometries with height-to-pitch ratio ranging between ≈0.34 and 6.7 and diameter-to-pitch ratio in the range of ≈0.25–0.7 and without any fitting parameters. For lower diameter-to-pitch ratio data points related to sparse micropillar array arrangements, we suggest modifications to the semi-analytical model. This work sheds light on complex and dynamic solid–liquid–vapor interfacial interactions which could serve as a guide for the design of textured surfaces for wicking enhancement in multi-phase thermal and mass transport technologies and applications.

Mechanics↗

Re-Creation of an Apollo-Era Separation Anomaly Using a Low-g Slosh Mechanical Analog

Recent interest in sending humans to the lunar and martian surfaces has led to spacecraft designs with large ratios of liquid propellant to dry mass. Large amounts of liquid propellant can lead to significant coupling between the rigid-body dynamics of the spacecraft and the motion, or slosh, of the liquid within its propellant tank. These spacecraft-propellant interactions can degrade the performance of the vehicle; therefore, a thorough analysis of the impact of slosh is required. The interactions that take place in a low-g environment, which is characterized by small relative accelerations between the spacecraft and its propellants, are of particular interest since the study of low-g slosh is a complicated undertaking and remains an active area of research.

low-g slosh↗

Multiphase tin equation of state using density functional theory

In this work, we perform density functional theory (DFT) calculations of five solid phases and the liquid phase of tin. The calculations include cold curves of the five solid phases, phonon calculations in the quasiharmonic approximation over a range of volumes for each solid phase, and DFT-based molecular dynamics (DFT-MD) simulations of the liquid phase, including those of the melt curve using the Z method. Using the DFT results, we construct a tabular multiphase sesame equation of state for tin, referred to as sesame 2162. Comparisons to experimental data are made and show a high level of agreement in isobaric data, isothermal data, shock data, and phase boundary measurements, including measurements of the melt curve. The 2162 EOS will be useful for hydrodynamics simulations and has been designed with an eye toward hydrodynamics simulations that incorporate materials strength models and allow for modeling of the kinetics of phase transitions.

3-dimensional systems↗