Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “EXPERIMENTATION”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

The importance of accurate adiabatic interaction potentials for the correct description of electronically nonadiabatic vibrational energy transfer: A combined experimental and theoretical study of NO(v = 3) collisions with a Au(111) surface

We present a combined experimental and theoretical study of NO(v = 3 → 3, 2, 1) scattering from a Au(111) surface at incidence translational energies ranging from 0.1 to 1.2 eV. Experimentally, molecular beam–surface scattering is combined with vibrational overtone pumping and quantum-state selective detection of the recoiling molecules. Theoretically, we employ a recently developed first-principles approach, which employs an Independent Electron Surface Hopping (IESH) algorithm to model the nonadiabatic dynamics on a Newns-Anderson Hamiltonian derived from density functional theory. This approach has been successful when compared to previously reported NO/Au scattering data. The experiments presented here show that vibrational relaxation probabilities increase with incidence energy of translation. The theoretical simulations incorrectly predict high relaxation probabilities at low incidence translational energy. We show that this behavior originates from trajectories exhibiting multiple bounces at the surface, associated with deeper penetration and favored (N-down) molecular orientation, resulting in a higher average number of electronic hops and thus stronger vibrational relaxation. The experimentally observed narrow angular distributions suggest that mainly single-bounce collisions are important. Restricting the simulations by selecting only single-bounce trajectories improves agreement with experiment. The multiple bounce artifacts discovered in this work are also present in simulations employing electronic friction and even for electronically adiabatic simulations, meaning they are not a direct result of the IESH algorithm. This work demonstrates how even subtle errors in the adiabatic interaction potential, especially those that influence the interaction time of the molecule with the surface, can lead to an incorrect description of electronically nonadiabatic vibrational energy transfer in molecule-surface collisions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Self-replenishing ability of cross-linked low surface energy polymer films investigated by a complementary experimental-simulation approach

Nowadays, many self-healing strategies are available for recovering mechanical damage of bulk polymeric materials. The recovery of surface-dependent functionalities on polymer films is, however, equally important and has been less investigated. In this work we study the ability of low surface energy cross-linked poly(ester urethane) networks containing perfluorinated dangling chains to self-replenish their surface, after being submitted to repeated surface damage. For this purpose we used a combined experimental-simulation approach. Experimentally, the cross-linked films were intentionally damaged by cryo-microtoming to remove top layers and create new surfaces which were characterized by water Contact Angle measurements and X-Ray Photoelectron Spectroscopy. The same systems were simultaneously represented by a Dissipative Particles Dynamics simulation method, where the damage was modeled by removing the top film layers in the simulation box and replacing it by new “air” beads. The influence of different experimental parameters, such as the concentration of the low surface energy component and the molecular mobility span of the dangling chains, on the surface recovery is discussed. The combined approach reveals important details of the self-replenishing ability of damaged polymer films such as the occurrence of multiple-healing events, the self-replenishing efficiency, and the minimum “healing agent” concentration for a maximum recovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Experimental and theoretical demonstration of acoustic Bloch oscillations in porous silicon structures

We report the theoretical calculations and the experimental demonstration of acoustic Bloch oscillations and Wannier-Stark ladders in linear tilted multilayer structures based on porous silicon. The considered structures consist of layers with constant porosity alternated by layers with a linear gradient in the parameter η=1/v{sub L}{sup 2} along the growth direction in order to tilt the acoustic band gap. The purpose of this gradient is to mimic the tilted electronic miniband structure of a superlattice semiconductor under an external electric field. In this way, acoustic Wannier-Stark ladders of equidistant modes are formed and they were experimentally confirmed in the transmission spectrum around 1.2 GHz. Their frequency separation defines the period of the acoustic Bloch oscillations. We fabricated three different structures with the same thicknesses but different values in the η parameter to observe the effect on the period of the Bloch oscillations. We measured the acoustic transmission spectra in the frequency domain, and by using the Fourier transform, we obtained the transmission in the time domain. The transmission spectra of the fabricated samples show acoustic Bloch oscillations with periods of 27, 24, and 19 ns. The experimental results are in good agreement with the transfer matrix calculations. The observed phenomenon is the acoustic counterpart of the well known electronic Bloch oscillations.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Experimentally validated finite element model of electrocaloric multilayer ceramic structures

A novel finite element model to simulate the electrocaloric response of a multilayer ceramic capacitor (MLCC) under real environment and operational conditions has been developed. The two-dimensional transient conductive heat transfer model presented includes the electrocaloric effect as a source term, as well as accounting for radiative and convective effects. The model has been validated with experimental data obtained from the direct imaging of MLCC transient temperature variation under application of an electric field. The good agreement between simulated and experimental data, suggests that the novel experimental direct measurement methodology and the finite element model could be used to support the design of optimised electrocaloric units and operating conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Impact of field-induced quantum confinement on the onset of tunneling field-effect transistors: Experimental verification

The Tunneling Field-Effect Transistor (TFET) is a promising device for future low-power logic. Its performance is often predicted using semiclassical simulations, but there is usually a large discrepancy with experimental results. An important reason is that Field-Induced Quantum Confinement (FIQC) is neglected. Quantum mechanical simulations show FIQC delays the onset of Band-To-Band Tunneling (BTBT) with hundreds of millivolts in the promising line-TFET configuration. In this letter, we provide experimental verification of this delayed onset. We accomplish this by developing a method where line-TFET are modeled using highly doped MOS capacitors (MOS-CAP). Using capacitance-voltage measurements, we demonstrate AC inversion by BTBT, which was so far unobserved in MOS-CAP. Good agreement is shown between the experimentally obtained BTBT onset and quantum mechanical predictions, proving the need to include FIQC in all TFET simulations. Finally, we show that highly doped MOS-CAP is promising for characterization of traps deep into the conduction band.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Experimental and theoretical studies of band gap alignment in GaAs{sub 1−x}Bi{sub x}/GaAs quantum wells

Band gap alignment in GaAs{sub 1−x}Bi{sub x}/GaAs quantum wells (QWs) was studied experimentally by photoreflectance (PR) and theoretically, ab initio, within the density functional theory in which the supercell based calculations are combined with the alchemical mixing approximation applied to a single atom in a supercell. In PR spectra, the optical transitions related to the excited states in the QW (i.e., the transition between the second heavy-hole and the second electron subband) were clearly observed in addition to the ground state QW transition and the GaAs barrier transition. This observation is clear experimental evidence that this is a type I QW with a deep quantum confinement in the conduction and valence bands. From the comparison of PR data with calculations of optical transitions in GaAs{sub 1−x}Bi{sub x}/GaAs QW performed for various band gap alignments, the best agreement between experimental data and theoretical calculations has been found for the valence band offset of 52 ± 5%. A very similar valence band offset was obtained from ab initio calculations. These calculations show that the incorporation of Bi atoms into GaAs host modifies both the conduction and the valence band. For GaAs{sub 1−x}Bi{sub x} with 0 < x < 0.074, the conduction band shifts lineary at a rate of ∼33 meV per % Bi, which only slightly decreases with Bi concentration. Whereas the valance band shift is clearly non-linear. Reducing initially at a rate of ∼51 meV per % Bi for low concentrations of Bi and then at a significantly reduced rate of ∼20 meV per % Bi near the end of the studied composition range. The overall reduction rate of the band gap is parabolic and the reduction rates change from ∼84 to ∼53 meV per % Bi for lower and higher Bi concentrations, respectively. The calculated shifts of valence and conduction bands give the variation of valence (conduction) band offset between GaAs{sub 1−x}Bi{sub x} and GaAs in the range of ∼60%–40% (∼40%–60%), which is in good agreement with our conclusion derived from PR measurements.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Correction of steel casing effect for density log using numerical and experimental methods in the slim borehole

Density log is widely applied for a variety of fields such as the petroleum exploration, mineral exploration, and geotechnical survey. The logging condition of density log is normally open holes but there are frequently cased boreholes. The primary calibration curve by slim hole logging manufacturer is normally the calibration curves for the variation of borehole diameter. In this study, we have performed the correction of steel casing effects using numerical and experimental methods. We have performed numerical modeling using the Monte Carlo N-Particle (MCNP) code based on Monte Carlo method, and field experimental method from open and cased hole log. In this study, we used the FDGS (Formation Density Gamma Sonde) for slim borehole with a 100 mCi 137Cs source, three inch borehole and steel casing. The casing effect between numerical and experimental method is well matched.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Experimental and numerical evaluation of freely spacing-tunable multiwavelength fiber laser based on two seeding light signals

A model of multiwavelength erbium-doped fiber laser (MEFL), which takes into account the impact of fiber attenuation on the four-wave-mixing (FWM), is proposed. Using this model, we numerically study the output characteristics of the MEFL based on FWM in a dispersion shift fiber with two seeding light signals (TSLS) and experimentally verify these characteristics. The numerical and experimental results show that the number of output channels can be increased with the increase of the erbium-doped fiber pump power. In addition, by decreasing the spacing of TSLS and increasing the power of TSLS, the number of output channels can be increased. However, when the power of TSLS exceeds a critical value, the number of output channels decreases. The results by numerical simulation are consistent with experimental observations from the MEFL.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Experimental observation of sub-Rayleigh quantum imaging with a two-photon entangled source

It has been theoretically predicted that N-photon quantum imaging can realize either an N-fold resolution improvement (Heisenberg-like scaling) or a √(N)-fold resolution improvement (standard quantum limit) beyond the Rayleigh diffraction bound, over classical imaging. Here, we report the experimental study on spatial sub-Rayleigh quantum imaging using a two-photon entangled source. Two experimental schemes are proposed and performed. In a Fraunhofer diffraction scheme with a lens, two-photon Airy disk pattern is observed with subwavelength diffraction property. In a lens imaging apparatus, however, two-photon sub-Rayleigh imaging for an object is realized with super-resolution property. The experimental results agree with the theoretical prediction in the two-photon quantum imaging regime.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Establishment and experimental verification of the photoresist model considering interface slip between photoresist and concave spherical substrate

A thickness distribution model of photoresist spin-coating on concave spherical substrate (CSS) has been developed via both theoretical studies and experimental verification. The stress of photoresist on rotating CSS is analyzed and the boundary conditions of hydrodynamic equation are presented under the non-lubricating condition. Moreover, a multivariable polynomial equation of photoresist-layer thickness distribution is derived by analyzing and deducing the flow equation where the evaporation rate, substrate topography, interface slip between liquid and CSS, and the variation of rotational speed and photoresist parameters are considered in detail. Importantly, the photoresist-layer thickness at various CSS rotational speeds and liquid concentrations can be obtained according to the theoretical equation. The required photoresist viscosity and concentration parameters of different photoresist coating thickness under a certain coating speeds can be also solved through this equation. It is noted that the calculated theoretical values are well consistent with the experimental results which were measured with various CSS rotational speeds and liquid concentrations at steady state. Therefore, both our experimental results and theoretical analysis provide the guidance for photoresist dilution and pave the way for potential improvements and microfabrication applications in the future.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Experimental studies in magnetically induced transverse force-frequency effect in thin quartz microresonators

In this work, the transverse force-frequency sensitivity of magnetostrictive Metglas{sup ®} (Fe{sub 85}B{sub 5}Si{sub 10}) thin film coated AT-cut thickness shear mode quartz thin plate microresonator (500 μm × 500 μm × 19 μm) is experimentally measured and modeled in Lagrangian formulation by coupling magnetostrictive deformation equations with the basic plate equations from the theory of small deformation. The quartz plate resonator is fabricated by micromachining techniques and released into fixed-free structure using focused ion beam milling. Application of a magnetic field results in the out-of-plane bending of the structure due to elastic coupling between the magnetostrictive Metglas{sup ®} and quartz resonator layers. As a result of the transverse loading and out-of-plane bending, the admittance characteristics of the resonator shifts, and these shifts are recorded in real time utilizing a network analyzer. The sensitivity is experimentally measured to be 162.3 mdeg/Oe for phase, corresponding to a frequency sensitivity of Δf/H = 11 Hz/Oe. The equivalent force-frequency sensitivity can then be calculated as 2.36 μN/Hz using the developed model. The coupled domain analysis fits well with the experimental data. Further reduction of quartz thickness and optimization of the thickness ratio of the magnetostrictive to quartz layers offers the possibility of exploiting the stress sensitivity of plate microresonators as sensitive magnetic field sensors capable of low nanoTesla to picoTesla level magnetic flux densities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

High pressure and time resolved studies of optical properties of n-type doped GaN/AlN multi-quantum wells: Experimental and theoretical analysis

High-pressure and time-resolved studies of the optical emission from n-type doped GaN/AlN multi-quantum-wells (MQWs) with various well thicknesses are analysed in comparison with ab initio calculations of the electronic (band structure, density of states) and optical (emission energies and their pressure derivatives, oscillator strength) properties. The optical properties of GaN/AlN MQWs are strongly affected by quantum confinement and polarization-induced electric fields. Thus, the photoluminescence (PL) peak energy decreases by over 1 eV with quantum well (QW) thicknesses increasing from 1 to 6 nm. Furthermore, the respective PL decay times increased from about 1 ns up to 10 μs, due to the strong built-in electric field. It was also shown that the band gap pressure coefficients are significantly reduced in MQWs as compared to bulk AlN and GaN crystals. Such coefficients are strongly dependent on the geometric factors such as the thickness of the wells and barriers. The transition energies, their oscillator strength, and pressure dependence are modeled for tetragonally strained structures of the same geometry using a full tensorial representation of the strain in the MQWs under external pressure. These MQWs were simulated directly using density functional theory calculations, taking into account two different systems: the semi-insulating QWs and the n-doped QWs with the same charge density as in the experimental samples. Such an approach allowed an assessment of the impact of n-type doping on optical properties of GaN/AlN MQWs. We find a good agreement between these two approaches and between theory and experimental results. We can therefore confirm that the nonlinear effects induced by the tetragonal strain related to the lattice mismatch between the substrates and the polar MQWs are responsible for the drastic decrease of the pressure coefficients observed experimentally.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

MnNiO 3 revisited with modern theoretical and experimental methods

MnNiO 3 is a strongly correlated transition metal oxide that has recently been investigated theoretically for its potential application as an oxygen-evolution photocatalyst. However, there is no experimental report on critical quantities such as the band gap or bulk modulus. Recent theoretical predictions with standard functionals such as LDA+U and HSE show large discrepancies in the band gaps (about 1.23 eV), depending on the nature of the functional used. Hence there is clearly a need for an accurate quantitative prediction of the band gap to gauge its utility as a photocatalyst. In this work, we present a diffusion quantum Monte Carlo study of the bulk properties of MnNiO 3 and revisit the synthesis and experimental properties of the compound. We predict quasiparticle band gaps of 2.0(5) eV and 3.8(6) eV for the majority and minority spin channels, respectively, and an equilibrium volume of 92.8 Å 3 , which compares well to the experimental value of 94.4 Å 3 . A bulk modulus of 217 GPa is predicted for MnNiO 3 . As a result, we rationalize the difficulty for the formation of ordered ilmenite-type structure with specific sites for Ni and Mn to be potentially due to the formation of antisite defects that form during synthesis, which ultimately affects the physical properties of MnNiO 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2018

A theoretical and experimental benchmark study of core-excited states in nitrogen

The high resolution near edge X-ray absorption fine structure spectrum of nitrogen displays the vibrational structure of the core-excited states. This makes nitrogen well suited for assessing the accuracy of different electronic structure methods for core excitations. We report high resolution experimental measurements performed at the SOLEIL synchrotron facility. These are compared with theoretical spectra calculated using coupled cluster theory and algebraic diagrammatic construction theory. The coupled cluster singles and doubles with perturbative triples model known as CC3 is shown to accurately reproduce the experimental excitation energies as well as the spacing of the vibrational transitions. In conclusion, the computational results are also shown to be systematically improved within the coupled cluster hierarchy, with the coupled cluster singles, doubles, triples, and quadruples method faithfully reproducing the experimental vibrational structure.

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

Experimental and theoretical studies on the elasticity of tungsten to 13 GPa

Compressional (V_P) and shear wave (V_S) velocities of polycrystalline tungsten have been measured up to ~13 GPa at room temperature using ultrasonic interferometry in a multi-anvil apparatus. Using finite strain equation of state approaches, the elastic bulk and shear moduli and their pressure dependences are derived yielding $K_{S0}$= 325.9 ± 4.8 GPa, $G_0$ =164.1±2.5 GPa, $K^{'}_{S0}$ =3.65 ± 0.05 and $G^{'}_0$ =1.28 ± 0.02. On the basis of the current experimental data, the high-pressure behavior of Young’s modulus, Poisson’s ratio and ductility/brittleness for tungsten are also investigated. Complementary to the experimental data, the single crystal elastic constants, as well as the elastic anisotropy of tungsten are computed using density functional theory (DFT). The Voigt-Reuss-Hill average of the bulk and shear moduli calculated using the single crystal elastic constants from DFT are found comparable to the current experimental results within about 5%. Here, the present study offers a dataset for the elasticity of polycrystalline bcc tungsten to a maximum pressure more than 25-fold higher than other previous ultrasonic studies, which can further our understanding about the elastic, mechanical and electronic properties of tungsten under extreme conditions as well as thermodynamic modelling of its alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Experimental observation of cnoidal waveform of nonlinear dust acoustic waves

The experimentally measured waveform of nonlinear dust acoustic waves in a plasma is shown to be accurately described by a cnoidal function. This function, which is predicted by nonlinear theory, has broad minima and narrow peaks. Fitting the experimental waveforms to the cnoidal function also provides a measure of the wave’s nonlinearity, namely, the elliptical parameter k. By characterizing experimental results at various wave amplitudes, we confirm that the parameter k increases and approaches a maximum value of unity, as the wave amplitude is increased. Here, the underlying theory that predicts the cnoidal waveform as an exact solution of a Korteweg-de Vries model equation takes account of the streaming ions that are responsible for the spontaneous excitation of the dust acoustic waves.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Experimental study of energy transfer in double shell implosions

Advances in target fabrication have made double shell capsule implosions a viable platform to study burning fusion plasmas. Central to the double shell capsule is a high-Z (e.g., Au) metal pusher that accesses the volume-burn regime by reducing radiative losses through radiation trapping and compressing a uniform fuel volume at reduced velocities. A double shell implosion relies on a series of energy transfer processes starting from x-ray absorption by the outer shell, followed by transfer of kinetic energy to an inner shell, and finally conversion of kinetic energy to fuel internal energy. We present simulation and experimental results on momentum transfer to different layers in a double shell. We also present the details of the development of the NIF cylindrical hohlraum double shell platform including an imaging shell design with a mid-Z inner shell necessary for imaging the inner shell shape and the trajectory with the current 2DConA platform capability. We examine 1D energy transfer between shell layers using trajectory measurements from a series of surrogate targets; the series builds to a complete double shell layer by layer, isolating the physics of each step of the energy transfer process. Here, the measured energy transfer to the foam cushion and the inner shell suggests that our radiation-hydrodynamics simulations capture most of the relevant collision physics. With a 1 MJ laser drive, the experimental data indicate that 22% ± 3% of the ablator kinetic energy couples into inner shell KE, compared to a 27% ± 2% coupling in our xRAGE simulations. Thus, our xRAGE simulations match experimental energy transfer to ~5%, without inclusion of higher order 2D and 3D effects.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Experimental evaluation of shear modulus scaling of dynamic strength at extreme pressures

Recent progress in the development of dynamic strength experimental platforms is allowing for unprecedented insight into the assumptions used to construct constitutive models operating in extreme conditions. In this work, we make a quantitative assessment of how tantalum strength scales with its shear modulus to pressures of hundreds of gigapascals through a cross-platform examination of three dynamic strength experiments. Specifically, we make use of Split–Hopkinson pressure bar and Richtmyer–Meshkov instability experiments to assess the low-pressure strain and strain rate dependence. Concurrent examination of magnetically driven ramp-release experiments up to pressures of 350GPa allows us to examine the pressure dependence. In this work, using a modern description of the shear modulus, validated against both ab initio theory and experimental measurements, we then assess how the experimentally measured pressure dependence scales with shear modulus. Furthermore, we find that the common assumption of scaling strength linearly with the shear modulus is too soft at high pressures and offer discussion as to how descriptions of slip mediated plasticity could result in an alternative scaling that is consistent with the data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗