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All sources NASA NTRS DOE OSTI

DOE OSTI2014

Hydroelastic slamming response in the evolution of a flip-through event during shallow-liquid sloshing

The evolution of a flip-through event [6] upon a vertical, deformable wall during shallow-water sloshing in a 2D tank is analyzed, with specific focus on the role of hydroelasticity. An aluminium plate, whose dimensions are Froude-scaled in order to reproduce the first wet natural frequency associated with the typical structural panel of a Mark III containment system, is used. (Mark III Containment System is a membrane-type tank used in the Liquefied Natural Gas (LNG) carrier to contain the LNG. A typical structural panel is composed by two metallic membranes and two independent thermal insulation layers. The first membrane contains the LNG, the second one ensures redundancy in case of leakage.) Such a system is clamped to a fully rigid vertical wall of the tank at the vertical ends while being kept free on its lateral sides. Hence, in a 2D flow approximation the system can be suitably modelled, as a double-clamped Euler beam, with the Euler beam theory. The hydroelastic effects are assessed by cross-analyzing the experimental data based both on the images recorded by a fast camera, and on the strain measurements along the deformable panel and on the pressure measurements on the rigid wall below the elastic plate. The same experiments are also carried out by substituting the deformable plate with a fully stiff panel. The pressure transducers are mounted at the same positions of the strain gauges used for the deformable plate. The comparison between the results of rigid and elastic case allows to better define the role of hydroelasticity. The analysis has identified three different regimes characterizing the hydroelastic evolution: a quasi-static deformation of the beam (regime I) precedes a strongly hydroelastic behavior (regime II), for which the added mass effects are relevant; finally, the free-vibration phase (regime III) occurs. A hybrid method, combining numerical modelling and experimental data from the tests with fully rigid plate is proposed to examine the hydroelastic effects. Within this approach, the measurements provide the experimental loads acting on the rigid plate, while the numerical solution enables a more detailed analysis, by giving additional information not available from the experimental tests. More in detail, an Euler beam equation is used to model numerically the plate with the added-mass contribution estimated in time. In this way the resulting hybrid method accounts for the variation of the added mass associated with the instantaneous wetted length of the beam, estimated from the experimental images. Moreover, the forcing hydrodynamic load is prescribed by using the experimental pressure distribution measured in the rigid case. The experimental data for the elastic beam are compared with the numerical results of the hybrid model and with those of the standard methods used at the design stage. The comparison against the experimental data shows an overall satisfactory prediction of the hybrid model. The maximum peak pressure predicted by the standard methods agrees with the result of the hybrid model only when the added mass effect is considered. However, the standard methods are not able to properly estimate the temporal evolution of the plate deformation.

42 ENGINEERING↗

NASA NTRS2003

Developing a MATLAB(registered)-Based Tool for Visualization and Transformation

An important step in the structural design and development of spacecraft is the experimental identification of a structure s modal characteristics, such as its natural frequencies and modes of vibration. These characteristics are vital to developing a representative model of any given structure or analyzing the range of input frequencies that can be handled by a particular structure. When setting up such a representative model of a structure, careful measurements using precision equipment (such as accelerometers and instrumented hammers) must be made on many individual points of the structure in question. The coordinate location of each data point is used to construct a wireframe geometric model of the structure. Response measurements obtained from the accelerometers is used to generate the modal shapes of the particular structure. Graphically, this is displayed as a combination of the ways a structure will ideally respond to a specified force input. Two types of models of the tested structure are often used in modal analysis: an analytic model showing expected behavior of the structure, and an experimental model showing measured results due to observed phenomena. To evaluate the results from the experimental model, a comparison of analytic and experimental results must be made between the two models. However, comparisons between these two models become difficult when the two coordinate orientations differ in a manner such that results are displayed in an unclear fashion. Such a problem proposes the need for a tool that not only communicates a graphical image of a structure s wireframe geometry based on various measurement locations (called nodes), but also allows for a type of transformation of the image s coordinate geometry so that a model s coordinate orientation is made to match the orientation of another model. Such a tool should also be designed so that it is able to construct coordinate geometry based on many different listings of node locations and is able to transform the wireframe coordinate orientation to match almost any possible orientation (i.e. it should not be a problem specific application) if it is to be of much value in modal analysis. Also, since universal files are used to store modal parameters and wireframe geometry, the tool must be able to read and extract information from universal files and use these files to exchange model data.The purpose of this project is to develop such a tool as a computer graphical user interface (GUI) capable of performing the following tasks: 1) Browsing for a particular universal file within the computer directory and displaying the name of this file to the screen; 2) Plotting each of the nodes within the universal file in a useful, descriptive, and easily understood figure; 3) Reading the node numbers from the selected file and listing these node numbers to the user for selection in an easily accessible format; 4) Allowing for user selection of a new model orientation defined by three selected nodes; and 5) Allowing the user to specify a directory to which the transformed model s node locations will be saved, and saving the transformed node locations to the specified file.

Anderton, Blake J.↗

DOE OSTI2017

The Recommendations for Linear Measurement Techniques on the Measurements of Nonlinear System Parameters of a Joint.

In the study of the dynamics of nonlinear systems, experimental measurements often convolute the response of the nonlinearity of interest and the effects of the experimental setup. To reduce the influence of the experimental setup on the deduction of the parameters of the nonlinearity, the response of a mechanical joint is investigated under various experimental setups. These experiments first focus on quantifying how support structures and measurement techniques affect the natural frequency and damping of a linear system. The results indicate that support structures created from bungees have negligible influence on the system in terms of frequency and damping ratio variations. The study then focuses on the effects of the excitation technique on the response for a linear system. The findings suggest that thinner stingers should not be used, because under the high force requirements the stinger bending modes are excited adding unwanted torsional coupling. The optimal configuration for testing the linear system is then applied to a nonlinear system in order to assess the robustness of the test configuration. Finally, recommendations are made for conducting experiments on nonlinear systems using conventional/linear testing techniques.

36 MATERIALS SCIENCE↗

NASA NTRS1989

Mobility power flow analysis of an L-shaped plate structure subjected to acoustic excitation

An analytical investigation based on the Mobility Power Flow method is presented for the determination of the vibrational response and power flow for two coupled flat plate structures in an L-shaped configuration, subjected to acoustical excitation. The principle of the mobility power flow method consists of dividing the global structure into a series of subsystems coupled together using mobility functions. Each separate subsystem is analyzed independently to determine the structural mobility functions for the junction and excitation locations. The mobility functions, together with the characteristics of the junction between the subsystems, are then used to determine the response of the global structure and the power flow. In the coupled plate structure considered here, mobility power flow expressions are derived for excitation by an incident acoustic plane wave. In this case, the forces (acoustic pressures) acting on the structure are dependent on the response of the structure because of the scattered pressure component. The interaction between the structure and the fluid leads to the derivation of a corrected mode shape for the plates' normal surface velocity and also for the structure mobility functions. The determination of the scattered pressure components in the expressions for the power flow represents an additional component in the power flow balance for the source plate and the receiver plate. This component represents the radiated acoustical power from the plate structure.

Cuschieri, J. M.↗

NASA NTRS2019

Large-Scale Boundary Layer Ingesting Propulsor Research

NASA’s Advanced Air Transport Technology (AATT) project is investigating boundary layer ingesting (BLI) propulsors for advanced subsonic commercial vehicle concepts to enable the reduction of fuel burn. A multidisciplinary team of researchers from NASA, United Technologies Research Center (UTRC), Virginia Polytechnic University, and the Air Force Arnold Engineering Development Complex developed and tested an embedded BLI inlet and distortion-tolerant fan (BLI2DTF) system in the NASA Glenn Research Center (GRC) 8- foot by 6-foot (8x6) transonic wind tunnel. The test demonstrated the component performance goals necessary for an overall fuel burn reduction of 3 to 5 percent on a large hybrid wing body (HWB) aircraft. Special test equipment, including a raised floor with flow effectors and a bleed system, was developed for use in the 8x6 to produce the appropriate incoming boundary layer representative of an HWB application. Detailed measurements were made to determine the inlet total pressure loss and distortion, fan stage efficiency, and aeromechanic performance including blade vibration stress and displacement response. Results from this test were used as input to a vehicle-level system study performed by the AATT project to assess the impact of BLI on an alternative advanced concept aircraft referred to as the NASA D8 (ND8), which is somewhat similar to the HWB in its integration of the propulsor. This paper will provide an overview of the project timeline, special test equipment needed in the wind tunnel to develop the appropriate incoming boundary layer, and the difficulties in designing a propulsor for the test. The paper will conclude with some representative aerodynamic and aeromechanic data from the test itself and conclude with how this data was used in the ND8 system study.

Aerodynamic performance↗

NASA NTRS2019

Large-Scale Boundary Layer Ingesting Propulsor Research

_NASA's Advanced Air Transport Technology (AATT) project is investigating boundary layer ingesting (BLI) propulsors for advanced subsonic commercial vehicle concepts to enable the reduction of fuel burn. A multidisciplinary team of researchers from NASA, United Technologies Research Center (UTRC), Virginia Polytechnic University, and the Air Force Arnold Engineering Development Complex developed and tested an embedded BLI inlet and distortion-tolerant fan (BLI2DTF) system in the NASA Glenn Research Center (GRC) 8-foot by 6-foot (8x6) transonic wind tunnel. The test demonstrated the component performance goals necessary for an overall fuel burn reduction of 3 to 5 percent on a large hybrid wing body (HWB) aircraft. Special test equipment, including a raised floor with flow effectors and a bleed system, was developed for use in the 8x6 to produce the appropriate incoming boundary layer representative of an HWB application. Detailed measurements were made to determine the inlet total pressure loss and distortion, fan stage efficiency, and aeromechanic performance including blade vibration stress and displacement response. Results from this test were used as input to a vehicle-level system study performed by the AATT project to assess the impact of BLI on an alternative advanced concept aircraft referred to as the NASA D8 (ND8), which is somewhat similar to the HWB in its integration of the propulsor. This paper will provide an overview of the project timeline, special test equipment needed in the wind tunnel to develop the appropriate incoming boundary layer, and the difficulties in designing a propulsor for the test. The paper will conclude with some representative aerodynamic and aeromechanic data from the test itself and conclude with how this data was used in the ND8 system study.

Celestina, Mark L.↗

NASA NTRS2005

Flexible Models for Solar Sail Control

Solar sails employ a unique form of propulsion, gaining momentum from incident and reflected photons. However, the momentum transferred by an individual photon is extremely small. Consequently, a solar sail must have an extremely large surface area and also be extremely light. The flexibility of the sail then must be considered when designing or evaluating control laws. In this paper, solar sail flexibility and its influence on control effectiveness is considered using idealized two-dimensional models to represent physical phenomena rather than a specific design. Differential equations of motion are derived for a distributed parameter model of a flexible solar sail idealized as a rotating central hub with two opposing flexible booms. This idealization is appropriate for solar sail designs in which the vibrational modes of the sail and supporting booms move together allowing the sail mass to be distributed along the booms in the idealized model. A reduced analytical model of the flexible response is considered. Linear feedback torque control is applied at the central hub. Two translational disturbances and a torque disturbance also act at the central hub representing the equivalent effect of deflecting sail shape about a reference line. Transient simulations explore different control designs and their effectiveness for controlling orientation, for reducing flexible motion and for disturbance rejection. A second model also is developed as a two-dimensional "pathfinder" model to calculate the effect of solar sail shape on the resultant thrust, in-plane force and torque at the hub. The analysis is then extended to larger models using the finite element method. The finite element modeling approach is verified by comparing results from a two-dimensional finite element model with those from the analytical model. The utility of the finite element modeling approach for this application is then illustrated through examples based on a full finite element model.

Weaver Smith, Suzanne↗

NASA NTRS2004

Prototype Morphing Fan Nozzle Demonstrated

Ongoing research in NASA Glenn Research Center's Structural Mechanics and Dynamics Branch to develop smart materials technologies for aeropropulsion structural components has resulted in the design of the prototype morphing fan nozzle shown in the photograph. This prototype exploits the potential of smart materials to significantly improve the performance of existing aircraft engines by introducing new inherent capabilities for shape control, vibration damping, noise reduction, health monitoring, and flow manipulation. The novel design employs two different smart materials, a shape-memory alloy and magnetorheological fluids, to reduce the nozzle area by up to 30 percent. The prototype of the variable-area fan nozzle implements an overlapping spring leaf assembly to simplify the initial design and to provide ease of structural control. A single bundle of shape memory alloy wire actuators is used to reduce the nozzle geometry. The nozzle is subsequently held in the reduced-area configuration by using magnetorheological fluid brakes. This prototype uses the inherent advantages of shape memory alloys in providing large induced strains and of magnetorheological fluids in generating large resistive forces. In addition, the spring leaf design also functions as a return spring, once the magnetorheological fluid brakes are released, to help force the shape memory alloy wires to return to their original position. A computerized real-time control system uses the derivative-gain and proportional-gain algorithms to operate the system. This design represents a novel approach to the active control of high-bypass-ratio turbofan engines. Researchers have estimated that such engines will reduce thrust specific fuel consumption by 9 percent over that of fixed-geometry fan nozzles. This research was conducted under a cooperative agreement (NCC3-839) at the University of Akron.

Lee, Ho-Jun↗

DOE OSTI2017

Contribution from Ising domains overlapping out-of-plane to perpendicular magnetic anisotropy in Mn 4 N thin films on MgO(001)

Single phase ε-Mn4N thin and ultrathin films are grown on MgO(001) using molecular beam epitaxy. Reflection high-energy electron diffraction and outof-plane x-ray diffraction measurements are taken for each sample in order to determine the in- and out-of-plane strain for each sample. Vibrating sample magnetometry and superconducting quantum interference device measurements, which are performed on the thin and ultrathin films respectively, are used to plot the magnetization of each sample versus both in- and out-of-plane $\vec H$-fields and to determine the magnitude of perpendicular magnetic anisotropy in these films. Three significant components of perpendicular magnetic anisotropy are observed in these films and are attributed to sample strain (1 component) and shape (2 components). Among these components, the most significant component (0.8 to 4.9 $\frac{Merg}{cm^3}$) is identified as a second term of shape anisotropy, which possesses a negative linear relationship with sample thickness over the range from 9 nm to 310 nm. Atomic (magnetic) force microscopy measurements show the presence of a surface localized magnetic polarization (22% to 82%), which increases with decreasing thickness, when the net magnetization of the films is zero. The second term of shape anisotropy as well as the surface localized polarization, which each depend on sample thickness, are each regarded as a consequence of Ising domains overlapping out-of-plane in these films.

Materials Science↗

DOE OSTI2015

Many-body dispersion effects in the binding of adsorbates on metal surfaces

A correct description of electronic exchange and correlation effects for molecules in contact with extended (metal) surfaces is a challenging task for first-principles modeling. In this work, we demonstrate the importance of collective van der Waals dispersion effects beyond the pairwise approximation for organic–inorganic systems on the example of atoms, molecules, and nanostructures adsorbed on metals. We use the recently developed many-body dispersion (MBD) approach in the context of density-functional theory [Tkatchenko et al., Phys. Rev. Lett. 108, 236402 (2012) and Ambrosetti et al., J. Chem. Phys. 140, 18A508 (2014)] and assess its ability to correctly describe the binding of adsorbates on metal surfaces. We briefly review the MBD method and highlight its similarities to quantum-chemical approaches to electron correlation in a quasiparticle picture. In particular, we study the binding properties of xenon, 3,4,9,10-perylene-tetracarboxylic acid, and a graphene sheet adsorbed on the Ag(111) surface. Accounting for MBD effects, we are able to describe changes in the anisotropic polarizability tensor, improve the description of adsorbate vibrations, and correctly capture the adsorbate–surface interaction screening. Comparison to other methods and experiment reveals that inclusion of MBD effects improves adsorption energies and geometries, by reducing the overbinding typically found in pairwise additive dispersion-correction approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Origin of ultralow phonon transport and strong anharmonicity in lead-free halide perovskites

All-inorganic lead-free halide double perovskites offer a promising avenue toward non-toxic, stable optoelectronic materials, properties that are missing in their prominent lead-containing counterparts. Their large thermopowers and high carrier mobilities also make them promising for thermoelectric applications. Here, in this work, we present a first-principles study of the lattice vibrations and thermal transport behaviors of Cs 2 SnI 6 and γ-CsSnI 3 , two prototypical compounds in this materials class. We show that conventional static zero temperature density functional theory (DFT) calculations severely underestimate the lattice thermal conductivities (κ l ) of these compounds, indicating the importance of dynamical effects. By calculating anharmonic renormalized phonon dispersions, we show that some optic phonons significantly harden with increasing temperature (T), which reduces the scattering of heat carrying phonons and enhances calculated κ l values when compared with standard zero temperature DFT. Furthermore, we demonstrate that coherence contributions to κ l , arising from wave like phonon tunneling, are important in both compounds. Overall, calculated κ l with temperature-dependent interatomic force constants, built from particle and coherence contributions, are in good agreement with available measured data, for both magnitude and temperature dependence. Large anharmonicity combined with low phonon group velocities yield ultralow values, with room temperature values of 0.26 W/m-K and 0.72 W/m-K predicted for Cs 2 SnI 6 and γ-CsSnI 3 , respectively. We further show that the lattice dynamics of these compounds are highly anharmonic, largely mediated by rotation of the SnI6 octahedra and localized modes originating from Cs rattling motion. These thermal characteristics combined with their previously computed excellent electronic properties make these perovskites promising candidates for optoelectronic and room temperature thermoelectric applications.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Array of Graphene Variable Capacitors on 100 mm Silicon Wafers for Vibration-Based Applications

Highly flexible, electrically conductive freestanding graphene membranes hold great promise for vibration-based applications. This study focuses on their integration into mainstream semiconductor manufacturing methods. We designed a two-mask lithography process that creates an array of freestanding graphene-based variable capacitors on 100 mm silicon wafers. The first mask forms long trenches terminated by square wells featuring cone-shaped tips at their centers. The second mask fabricates metal traces from each tip to its contact pad along the trench and a second contact pad opposite the square well. A graphene membrane is then suspended over the square well to form a variable capacitor. The same capacitor structures were also built on 5 mm by 5 mm bare dies containing an integrated circuit underneath. We used atomic force microscopy, optical microscopy, and capacitance measurements in time to characterize the samples.

36 MATERIALS SCIENCE↗

NASA NTRS1990

An unsteady lifting surface method for single rotation propellers

The mathematical formulation of a lifting surface method for evaluating the steady and unsteady loads induced on single rotation propellers by blade vibration and inflow distortion is described. The scheme is based on 3-D linearized compressible aerodynamics and presumes that all disturbances are simple harmonic in time. This approximation leads to a direct linear integral relation between the normal velocity on the blade (which is determined from the blade geometry and motion) and the distribution of pressure difference across the blade. This linear relation is discretized by breaking the blade up into subareas (panels) on which the pressure difference is treated as approximately constant, and constraining the normal velocity at one (control) point on each panel. The piece-wise constant loads can then be determined by Gaussian elimination. The resulting blade loads can be used in performance, stability and forced response predictions for the rotor. Mathematical and numerical aspects of the method are examined. A selection of results obtained from the method is presented. The appendices include various details of the derivation that were felt to be secondary to the main development in Section 1.

Williams, Marc H.↗

NASA NTRS2004

Conical Magnetic Bearings Developed for Active Stall Control in Gas Turbine Engines

Active stall control is a current research area at the NASA Glenn Research Center that offers a great benefit in specific fuel consumption by allowing the gas turbine to operate beyond the onset of stall. Magnetic bearings are being investigated as a new method to perform active stall control. This enabling global aviation safety technology would result in improved fuel efficiency and decreased carbon dioxide emissions, as well as improve safety and reliability by eliminating oil-related delays and failures of engine components, which account for 40 percent of the commercial aircraft departure delays. Active stall control works by perturbing the flow in front of the compressor stage such that it cancels the pressure wave, which causes the compressor to go into stall. Radial magnetic bearings are able to whirl the shaft so that variations in blade tip leakage would flow upstream causing a perturbation wave that could cancel the rotating stall cell. Axial or thrust magnetic bearings cannot be used to cancel the surge mode in the compressor because they have a very low bandwidth and thus cannot modulate at a high enough frequency. Frequency response is limited because the thrust runner cannot be laminated. To improve the bandwidth of magnetic thrust bearings, researchers must use laminations to suppress the eddy currents. A conical magnetic bearing can be laminated, resulting in increased bandwidth in the axial direction. In addition, this design can produce both radial and thrust force in a single bearing, simplifying the installation. The proposed solution combines the radial and thrust bearing into one design that can be laminated--a conical magnetic bearing. The new conical magnetic bearing test rig, funded by a Glenn fiscal year 2002 Director's Discretionary Fund, was needed because none of the existing rigs has an axial degree of freedom. The rotor bearing configuration will simulate that of the main shaft on a gas turbine engine. One conical magnetic bearing replaces the ball bearing in front of the compressor, and the second replaces the roller bearing behind the burner. The rig was made operational to 10,000 rpm under Smart Efficient Components funding, and both position and current adaptive vibration control have been demonstrated. Upon program completion, recommendations will be made as to the efficacy of the conical magnetic bearing for active stall control.

Trudell, Jeffrey J.↗

NASA NTRS1983

The effect of low velocity impact in the strength characteristics of composite materials laminates

The nonlinear vibration response of a double cantilevered beam subjected to pulse loading over a central sector is studied. The initial response is generated in detail to ascertain the energetics of the response. The total energy is used as a gauge of the stability and accuracy of the solution. It is shown that to obtain accurate and stable initial solutions an extremely high spatial and time resolution is required. This requirement was only evident through an examination of the energy of the system. It is proposed, therefore, to use the total energy of the system as a necessary stability and accuracy criterion for the nonlinear response of conservative systems. The results also demonstrate that even for moderate nonlinearities, the effects of membrane forces have a significant influence on the system.

Liebowitz, H.↗

NASA NTRS1984

Energy conservation in the transient response of nonlinear beam vibration problems subjected to pulse loading - A numerical approach

Moyer, E. T., Jr.↗

DOE OSTI2015

Non-equilibrium reaction and relaxation dynamics in a strongly interacting explicit solvent: F + CD{sub 3}CN treated with a parallel multi-state EVB model

We describe a parallelized linear-scaling computational framework developed to implement arbitrarily large multi-state empirical valence bond (MS-EVB) calculations within CHARMM and TINKER. Forces are obtained using the Hellmann-Feynman relationship, giving continuous gradients, and good energy conservation. Utilizing multi-dimensional Gaussian coupling elements fit to explicitly correlated coupled cluster theory, we built a 64-state MS-EVB model designed to study the F + CD{sub 3}CN → DF + CD{sub 2}CN reaction in CD{sub 3}CN solvent (recently reported in Dunning et al. [Science 347(6221), 530 (2015)]). This approach allows us to build a reactive potential energy surface whose balanced accuracy and efficiency considerably surpass what we could achieve otherwise. We ran molecular dynamics simulations to examine a range of observables which follow in the wake of the reactive event: energy deposition in the nascent reaction products, vibrational relaxation rates of excited DF in CD{sub 3}CN solvent, equilibrium power spectra of DF in CD{sub 3}CN, and time dependent spectral shifts associated with relaxation of the nascent DF. Many of our results are in good agreement with time-resolved experimental observations, providing evidence for the accuracy of our MS-EVB framework in treating both the solute and solute/solvent interactions. The simulations provide additional insight into the dynamics at sub-picosecond time scales that are difficult to resolve experimentally. In particular, the simulations show that (immediately following deuterium abstraction) the nascent DF finds itself in a non-equilibrium regime in two different respects: (1) it is highly vibrationally excited, with ∼23 kcal mol{sup −1} localized in the stretch and (2) its post-reaction solvation environment, in which it is not yet hydrogen-bonded to CD{sub 3}CN solvent molecules, is intermediate between the non-interacting gas-phase limit and the solution-phase equilibrium limit. Vibrational relaxation of the nascent DF results in a spectral blue shift, while relaxation of the post-reaction solvation environment results in a red shift. These two competing effects mean that the post-reaction relaxation profile is distinct from what is observed when Franck-Condon vibrational excitation of DF occurs within a microsolvation environment initially at equilibrium. Our conclusions, along with the theoretical and parallel software framework presented in this paper, should be more broadly applicable to a range of complex reactive systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Measurement of coherent vibrational dynamics with X-ray Transient Absorption Spectroscopy simultaneously at the Carbon K- and Chlorine L 2,3 - edges

X-ray Transient Absorption Spectroscopy (XTAS) is a powerful probe for ultrafast molecular dynamics. The evolution of XTAS signal is controlled by the shapes of potential energy surfaces of the associated core-excited states, which are difficult to directly measure. Here, we study the vibrational dynamics of Raman activated CCl 4 with XTAS targeting the C 1s and Cl 2p electrons. The totally symmetric stretching mode leads to concerted elongation or contraction in bond lengths, which in turn induce an experimentally measurable red or blue shift in the X-ray absorption energies associated with inner-shell electron excitations to the valence antibonding levels. The ratios between slopes of different core-excited potential energy surfaces (CEPESs) thereby extracted agree very well with Restricted Open-Shell Kohn-Sham calculations. The other, asymmetric, modes do not measurably contribute to the XTAS signal. The results highlight the ability of XTAS to reveal coherent nuclear dynamics involving < 0.01 Å atomic displacements and also provide direct measurement of forces on CEPESs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

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