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At least 631 records · Page 35

Exciton-vibrational dynamics induces efficient self-trapping in a substituted nanoring

Cycloparaphenylenes, being the smallest segments of carbon nanotubes, have emerged as prototypes of the simplest carbon nanohoops. Their unique structure–dynamics–optical properties relationships have motivated a wide variety of synthesis of new related nanohoop species. Studies of how chemical changes, introduced in these new materials, lead to systems with new structural, dynamics and optical properties, expand their functionalities for optoelectronics applications. Herein, we study the effect that conjugation extension of a cycloparaphenylene through the introduction of a satellite tetraphenyl substitution has on its structural and dynamical properties. Our non-adiabatic excited state molecular dynamics simulations suggest that this substitution accelerates the electronic relaxation from the high-energy band to the lowest excited state. This is partially due to efficient conjugation achieved between specific phenyl units as introduced by the tetraphenyl substitution. We observe a particular exciton redistribution during relaxation, in which the tetraphenyl substitution plays a significant role. As a result, an efficient inter-band energy transfer takes place. Besides, the observed phonon-exciton interplay induces a significant exciton self-trapping. Finally, our results encourage and guide the future studies of new phenyl substitutions in carbon nanorings with desired optoelectronic properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Vibrational Sum-Frequency Generation Hyperspectral Microscopy for Molecular Self-Assembled Systems

In this review, we discuss the recent developments and applications of vibrational sum-frequency generation (VSFG) microscopy. This hyperspectral imaging technique can resolve systems without inversion symmetry, such as surfaces, interfaces and noncentrosymmetric self-assembled materials, in the spatial, temporal, and spectral domains. We discuss two common VSFG microscopy geometries: wide-field and confocal point-scanning. We then introduce the principle of VSFG and the relationships between hyperspectral imaging with traditional spectroscopy, microscopy, and time-resolved measurements. We further highlight crucial applications of VSFG microscopy in self-assembled monolayers, cellulose in plants, collagen fibers, and lattice self-assembled biomimetic materials. In these systems, VSFG microscopy reveals relationships between physical properties that would otherwise be hidden without being spectrally, spatially, and temporally resolved. Lastly, we discuss the recent development of ultrafast transient VSFG microscopy, which can spatially measure the ultrafast vibrational dynamics of self-assembled materials. The review ends with an outlook on the technical challenges of and scientific potential for VSFG microscopy.

Chemistry↗

Reliability-based optimization under random vibration environment

A methodology of formulating the optimum design problem for structural systems with random parameters and subjected to random vibration as a mathematical programming problem is presented. The proposed method is applied to the optimum design of a cantilever beam with a tip mass and a truss structure supporting a water tank. The excitations are assumed to be Gaussian processes and the geometric and material properties are taken to be normally distributed random variables. The probabilistic constraints are specified for individual failure modes since it is easier to specify the reliability level for each failure mode keeping in view the consequences of failure in that particular mode. The time parameter appearing in the random vibration based constraints is eliminated by replacing the probabilities of failure by suitable upper bounds. The numerical results demonstrate the feasibility and effectiveness of applying the reliability-based design concepts to structures with random parameters and operating in random vibration environment.

Rao, S. S.↗

Fabric properties and electric efficiency limits of mechanical moisture extraction from fabrics

Residential clothes drying consume about 650 TBtu of primary energy per year in the United States, equivalent to 3% of primary residential energy consumption. There is a strong impetus to reduce the energy consumption of clothes dryers by both improving existing technology and developing alternatives that use fundamentally different drying mechanisms. Clothes drying technologies are broadly classified into either evaporative or mechanical drying. The focus of this paper is on mechanical drying, including vibrational, centrifugal, and press-based methods. In this work, the physical processes involved in these mechanical fabric drying processes were analyzed to develop general theories of mechanical cloth drying energy efficiency. Quantitative evaluation of the theories requires measured fabric properties. To accomplish this, a set of experiments was conducted on samples of a standard test fabric. The fabric was a cotton-polyester blend specified by the US Department of Energy to evaluate the standardized efficiency of all residential clothes dryers in the US. Mercury porosimetry experiments were conducted to determine the fabric pore size distribution, apparent density, and porosity. Elasticity experiments were conducted to determine the fabric’s Young’s modulus. Isostatic press experiments were conducted to establish a relationship between compression force and fabric moisture content. The data resulting from these experiments were combined with mathematical models developed in this work to calculate the theoretical maximum performance limits for mechanical drying of the standard fabric. The results of the analysis are used to make recommendations for the most promising technologies that offer the greatest potential energy savings for residential clothes drying.

36 MATERIALS SCIENCE↗

Viscoelastic propellant effects on Space Shuttle Dynamics

The program of solid propellant research performed in support of the space shuttle dynamics modeling effort is described. Stiffness, damping, and compressibility of the propellant and the effects of many variables on these properties are discussed. The relationship between the propellant and solid rocket booster dynamics during liftoff and boost flight conditions and the effects of booster vibration and propellant stiffness on free free solid rocket booster modes are described. Coupled modes of the shuttle system and the effect of propellant stiffness on the interfaces of the booster and the external tank are described. A finite shell model of the solid rocket booster was developed.

Bugg, F.↗

Vibration analysis of three guyed tower designs for intermediate size wind turbines

Three guyed tower designs were analyzed for intermediate size wind turbines. The four lowest natural frequencies of vibration of the three towers concepts were estimated. A parametric study was performed on each tower to determine the effect of varying such tower properties as the inertia and stiffness of the tower and guys, the inertia values of the nacelle and rotor, and the rotational speed of the rotor. Only the two lowest frequencies were in a range where they could be excited by the rotor blade passing frequencies. There two frequencies could be tuned by varying the guy stiffness, the guy attachment point on the tower, the tower and mass stiffness, and the nacelle/rotor/power train masses.

Christie, R. J.↗

Parameter estimation in truss beams using Timoshenko beam model with damping

Truss beams with members having viscous damping are modeled with a Timoshenko beam. Procedures for deriving the equivalent bending rigidity, transverse shear rigidity, and damping are presented. Explicit expressions for these equivalent beam properties are obtained for a specific truss beam. The beam model thus established is then used to investigate the effect of damping in free vibration. Finally, the beam is employed in the estimation of structural parameters in a simply-supported truss beam using a random search algorithm.

Sun, C. T.↗

Flight motor set 360T004 (STS-30R). Volume 1: System overview

The fourth NASA space shuttle flight incorporating redesigned solid rocket motors began on 4 May 1989. The flight motors were designated 360Q004A (left-hand) and 360H004B (right-hand); the mission was designated STS-30R. Overall engine performance was excellent. The low sample rate data that was available showed exceptional propulsion performance. All ballistic and mass property parameters closely matched the predicted values and were well within the required contract end item specification levels that could be assessed. No strain, vibration, or aft skirt heating environments could be addressed due to developmental flight instrumentation deletion. Infrared readings from the shuttle thermal imager were considered very good when compared with ground environment instrumentation readings taken during both the aborted and the actual countdowns. However, hand-held infrared gun reading/ground environment instrumentation comparisons were considered poor during both countdowns, with the exception of the T - 3 hour timeframe during the actual launch. Postflight inspection again verified superior performance of the insulation, phenolics, metal parts, and seals. All combustion gas was contained by the insulation in the field and case-to-nozzle joints. Inadequate parachute performance on the left-hand booster caused high splashdown loads, which resulted in a displaced nozzle and factory joint weatherseal unbond anomalies. Recommendations were made concerning improved thermal modeling and instruments. The rationale for these recommendations, the dispositions of all anomalies, and complete result details are given.

Ricks, Glenn A.↗

Analysis of Stainless Steel Sandwich Panels with a Metal Foam Care for Lightweight Fan Blade Design

The quest for cheap, low density and high performance materials in the design of aircraft and rotorcraft engine fan and propeller blades poses immense challenges to the materials and structural design engineers. Traditionally, these components have been fabricated using expensive materials such as light weight titanium alloys, polymeric composite materials and carbon-carbon composites. The present study investigates the use of P sandwich foam fan blade made up of solid face sheets and a metal foam core. The face sheets and the metal foam core material were an aerospace grade precipitation hardened 17-4 PH stainless steel with high strength and high toughness. The stiffness of the sandwich structure is increased by separating the two face sheets by a foam core. The resulting structure possesses a high stiffness while being lighter than a similar solid construction. Since the face sheets carry the applied bending loads, the sandwich architecture is a viable engineering concept. The material properties of 17-4 PH metal foam are reviewed briefly to describe the characteristics of the sandwich structure for a fan blade application. A vibration analysis for natural frequencies and P detailed stress analysis on the 17-4 PH sandwich foam blade design for different combinations of skin thickness and core volume %re presented with a comparison to a solid titanium blade.

Min, James B.↗

Laser power supply thermo-structural analysis for the Mars 2020 rover

Operation of the Laser Power Supply (LPS) module provides the dual challenge of high power dissipation, and the need for strict dielectric isolation, while needing to survive in an environment on Mars that will see a chilly night-time temperature of -123°C, and to a daytime instrument environment in excess of 50°C. Additionally, power restrictions prevent the use of survival heating during the night. The harsh mechanical vibration environment of launch and landing provides an additional challenge to reliability. A multi-physics simulation was created that took into account temperature property variations, as well as solving the transient analysis that also included rapid variation in power-pulsing during the operation of the laser. The steady state analysis employed a more traditional finite element based analysis, but with provisions for Mars gas convection and thermal radiation.

Tuman, David↗

Mars 2020 Rover Laser Power Supply Thermomechanical Analysis

Operation of the Laser Power Supply (LPS) module provides the dual challenge of high power dissipation, and the need for strict dielectric isolation, while needing to survive in an environment on Mars that will see a chilly night-time temperature of -123°C, and to a daytime instrument environment in excess of 50°C. Additionally, power restrictions prevent the use of survival heating during the night. The harsh mechanical vibration environment of launch and landing provides an additional challenge to reliability. A multi-physics simulation was created that took into account temperature property variations, as well as solving the transient analysis that also included rapid variation in power-pulsing during the operation of the laser. The steady state analysis employed a more traditional finite element based analysis, but with provisions for Mars gas convection and thermal radiation.

Tuman, David↗

Multi-Modal Characterization of Nuclear Fuels and Materials at the Idaho National Laboratory Materials & Fuels Complex

The Idaho National Laboratory (INL) leads cutting-edge research pertaining to the advancement of nuclear reactor technologies, including nuclear fuels and materials. The INL Irradiated Materials Characterization Laboratory (IMCL), Electron Microscopy Laboratory (EML), and future Sample Preparation Laboratory (SPL) are available to the nuclear research community to assess the behavior of nuclear fuels and materials, efficiently and comprehensively characterizing from the engineering to atomistic scale. The IMCL is a unique, 12,000-square-foot facility located at the INL Materials and Fuels Complex designed for analysis of irradiated materials. The facility operates advanced characterization instruments that are sensitive to vibration, temperature, and electromagnetic interference in modular radiological shielding and confinement systems, granting researchers the ability to assess the microstructural, chemical, mechanical and thermophysical properties of nuclear materials, especially irradiated fuels. The EML is dedicated to advanced characterization of materials with optical and electron microscopy tools, including scanning electron microscopy/focused-ion beam (SEM/FIB) and transmission electron microscopy (TEM). Upon construction, the SPL will be a 3 story, 49,000 sq. ft facility, that is the most modern reactor structural materials testing and analysis facility in the world, designed to investigate reactor structural materials in support of life-extension programs and development of advanced reactor concepts, including mechanical testing and advanced characterization capabilities. This presentation will showcase some of the main capabilities available at both IMCL, EML, and SPL, specifically illustrating how these characterization techniques are incorporated into multi-modal characterization work scopes to elucidate the degradation of nuclear structural materials and irradiated fuels.

36 MATERIALS SCIENCE↗

Noninvasive acoustical property measurement of fluids

Methods for noninvasive determination of acoustical properties of flowing in pipes having a large ratio (>10) of pipe diameter to wall thickness, and in highly attenuating fluids are described. When vibrations are excited on the outer surface of the wall of a pipe, the resulting vibrations propagate directly through the wall in a normal direction and through the pipe wall as guided waves, appearing on the opposite side of the pipe. This dual path propagation through pipes, where guided waves take the circumferential path in the wall of the pipe and may interfere with the time of-flight measurement obtained from the direct path through the fluid, is at least in part resolved by subtracting the signal from the guided wave from the combined signal, thereby permitting improved observation of the direct path propagation through the fluid.

Sinha, Dipen N.↗

Two-dimensional-lattice-confined single-molecule-like aggregates

Intermolecular distance largely determines the optoelectronic properties of organic matter. Conventional organic luminescent molecules are commonly used either as aggregates or as single molecules that are diluted in a foreigner matrix. They have garnered great research interest in recent decades for a variety of applications, including light-emitting diodes, lasers and quantum technologies, among others. However, there is still a knowledge gap on how these molecules behave between the aggregation and dilution states. Here we report an unprecedented phase of molecular aggregate that forms in a two-dimensional hybrid perovskite superlattice with a near-equilibrium distance, which we refer to as a single-molecule-like aggregate (SMA). By implementing two-dimensional superlattices, the organic emitters are held in proximity, but, surprisingly, remain electronically isolated, thereby resulting in a near-unity photoluminescence quantum yield, akin to that of single molecules. Moreover, the emitters within the perovskite superlattices demonstrate strong alignment and dense packing resembling aggregates, allowing for the observation of robust directional emission, substantially enhanced radiative recombination and efficient lasing. Molecular dynamics simulations together with single-crystal structure analysis emphasize the critical role of the internal rotational and vibrational degrees of freedom of the molecules in the two-dimensional lattice for creating the exclusive SMA phase. Furthermore, this two-dimensional superlattice unifies the paradoxical properties of single molecules and aggregates, thus offering exciting possibilities for advanced spectroscopic and photonic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Damping of structural vibrations with piezoelectric materials and passive electrical networks

The possibility of dissipating mechanical energy with piezoelectric material shunted with passive electrical circuits is investigated. The effective mechanical impedance for the piezoelectric element shunted by an arbitrary circuit is derived. The shunted piezoelectric is shown to possess frequency dependent stiffness and loss factor which are also dependent on the shunting circuit. The generally shunted model is specialized for two shunting circuits: the case of a resistor alone and that of a resistor and inductor. For resistive shunting, the material properties exhibit frequency dependence similar to viscoelastic materials, but are much stiffer and more independent of temperature. Shunting with a resistor and inductor introduces an electrical resonance, which can be optimally tuned to structural resonances in a manner analogous to a mechanical vibration arsorber. Techniques for analyzing systems which incorporate these shunting cases are presented and applied to a cantilevered beam experiment. The experimental results for both the resistive and resonant shunting circuits validate the shunted piezoelectric damping models.

Hagood, N. W.↗

Observation and rationalization of nitrogen oxidation enabled only by coupled plasma and catalyst

Abstract Heterogeneous catalysts coupled with non-thermal plasmas (NTP) are known to achieve reaction yields that exceed the contributions of the individual components. Rationalization of the enhancing potential of catalysts, however, remains challenging because the background contributions from NTP or catalysts are often non-negligible. Here, we first demonstrate platinum (Pt)-catalyzed nitrogen (N 2 ) oxidation in a radio frequency plasma afterglow at conditions at which neither catalyst nor plasma alone produces significant concentrations of nitric oxide (NO). We then develop reactor models based on reduced NTP- and surface-microkinetic mechanisms to identify the features of each that lead to the synergy between NTP and Pt. At experimental conditions, NTP and thermal catalytic NO production are suppressed by radical reactions and high N 2 dissociation barrier, respectively. Pt catalyzes NTP-generated radicals and vibrationally excited molecules to produce NO. The model construction further illustrates that the optimization of productivity and energy efficiency involves tuning of plasma species, catalysts properties, and the reactor configurations to couple plasma and catalysts. These results provide unambiguous evidence of synergism between plasma and catalyst, the origins of that synergy for N 2 oxidation, and a modeling approach to guide material selection and system optimization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Understanding Microstructural Effects on Dynamic Performance Towards the Development of Shock Metamaterials

With the recent advances in additive manufacturing (AM), long-range periodic lattice assemblies are being developed for vibration and shock mitigation components in aerospace and military applications with unique geometric and topological structures. There has been extensive work in understanding the static properties associated with varying topology of these lattice architectures, but there is almost no understanding of microstructural affects in such structures under high-strain rate dynamic loading conditions. Here we report the shock behavior of lattices with varying intrinsic grain structures achieved by post process annealing. High resolution 316L stainless steel lattices were 3D printed by a laser-powder bed fusion machine and characterized by computed tomography. Subsequent annealing resulted in stress-relieved and recrystallized lattices. Overall the lattices had strong cubic texture aligning with the x-, y- and z-directions of the build with a preference outside the build direction (z). The recrystallized sample had more equiaxed polygonal grains and a layer of BCC ferrite at the surface of the structure approximately 1 grain thick. Upon dynamic compression the as-deposited lattice showed steady compaction behavior while the heat-treated lattices exhibit negative velocity behavior indicative of failure. We attribute this to the stiffer BCC ferrite in the annealed lattices becoming damaged and fragmenting during compression.

36 MATERIALS SCIENCE↗

Energy and Spectroscopic Characterization of the Isomers of C4H3-, C6H3-, and C6H5-

Organic and inorganic molecules, neutral and ions have been observed in the interstellar medium. A few anions of organic molecules have also been observed recently. The Cassini spacecraft in the upper atmosphere of Titan has observed anions of large organic molecules. In this project we have studied the physical and spectroscopic properties of C4H3-, C6H3-, and C6H5-. We have optimized the geometrical structures of all low-lying isomers of the anions, calculated rotational, and harmonic vibrational frequencies of the anions mentioned above using the B3LYP density functional along with the augmented correlation consistent polar valence triple zeta (aug-cc-pVTZ) basis set. We have found many low-lying isomers on the potential energy surface of these anions.

Energy↗