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At least 271 records · Page 15

Complex dislocation loop networks as natural extensions of the sink efficiency of saturated grain boundaries in irradiated metals

The development of radiation-tolerant structural materials is an essential element for the success of advanced nuclear energy concepts. A proven strategy to increase radiation resistance is to create microstructures with a high density of internal defect sinks, such as grain boundaries (GBs). However, as GBs absorb defects, they undergo internal transformations that limit their ability to capture defects indefinitely. Here, we show that, as the sink efficiency of GBs becomes exhausted with increasing irradiation dose, networks of irradiation loops form in the vicinity of saturated or near-saturated GB, maintaining and even increasing their capacity to continue absorbing defects. The formation of these networks fundamentally changes the driving force for defect absorption at GB, from “chemical” to “elastic.” Using thermally-activated dislocation dynamics simulations, we show that these networks are consistent with experimental measurements of defect densities near GB. Our results point to these networks as a natural continuation of the GB once they exhaust their internal defect absorption capacity.

36 MATERIALS SCIENCE↗

Is nuclear matter a quantum crystal?

A possible alternative to the ordinary gas-like computation for nuclear matter is investigated under the assumption that the nucleons are arranged in a lattice. BCC, FCC and HCP structures are investigated. Only HCP shows a minimum in the energy vs. density curve with a modest binding energy of -1.5 MeV. The very low density limit is investigated and sensible results are obtained only if the tensor force decreases with the density. A study of the elastic properties indicates that the previous structures are mechanically unstable against shearing stresses.

Canuto, V.↗

Elastic-plastic analysis of annular plate problems using NASTRAN

The plate elements of the NASTRAN code are used to analyze two annular plate problems loaded beyond the elastic limit. The first problem is an elastic-plastic annular plate loaded externally by two concentrated forces. The second problem is stressed radially by uniform internal pressure for which an exact analytical solution is available. A comparison of the two approaches together with an assessment of the NASTRAN code is given.

Chen, P. C. T.↗

Fundamental tribological properties of ceramics

When a ceramic is brought into contact with itself, another ceramic, or a metal, strong bond forces can develop between the materials. Adhesion between a ceramic and itself or another solid are discussed from a theoretical consideration of the nature of the surfaces and experimentally by relating bond forces to the interface resulting from solid state contact. Elastic, plastic, and fracture behavior of ceramics in solid-state contact are discussed as they relate to friction and wear. The contact load necessary to initiate fracture in ceramics is shown to be appreciably reduced with tangential motion. Both friction and wear of ceramics are anisotropic and relate to crystal structure as with metals. Both free energy of oxide formation and the d valence bond character of metals are related to the friction and wear characteristics for metals in contact with ceramics. Lubrication is found to increase the critical load necessary to initiate fracture of ceramics with sliding or rubbing contact.

Buckley, D. H.↗

Fundamental tribological properties of ceramics

When a ceramic is brought into contact with itself, another ceramic, or a metal, strong bond forces can develop between the materials. Adhesion between a ceramic and itself or another solid are discussed from a theoretical consideration of the nature of the surfaces and experimentally by relating bond forces to the interface resulting from solid state contact. Elastic, plastic, and fracture behavior of ceramics in solid-state contact are discussed as they relate to friction and wear. The contact load necessary to initiate fracture in ceramics is shown to be appreciably reduced with tangential motion. Both friction and wear of ceramics are anisotropic and relate to crystal structure as with metals. Both free energy of oxide formation and the d valence bond character of metals are related to the friction and wear characteristics for metals in contact with ceramics. Lubrication is found to increase the critical load necessary to initiate fracture of ceramics with sliding or rubbing contact.

Buckley, D. H.↗

Predictions of F-111 TACT aircraft buffet response and correlations of fluctuating pressures measured on aluminum and steel models and the aircraft

Results of buffet research that was conducted as part of the joint USAF/NASA F-111 TACT Research Program are presented. The correlation of wind tunnel and flight measurements of buffet excitation showed that there generally was good agreement between measurements of pressure fluctuations on the models and aircraft in regions of separated flow. At shock-wave boundaries of the separated flow, correlations of pressure fluctuations were not so good, due to Reynolds number and static elastic effects. The buffet prediction method, which applies a forcing function that is obtained by real-time integration of pressure time histories with the natural modes, is described. The generalized forces, including the effects of wing and tail, correlations of predicted and measured damping, and correlations of predicted and measured buffet response are presented. All presented data are for a Mach number of 0.8 with wing-sweep angles of 26 and 35 deg for a range of angles-of-attack that include buffet onset to high intensity buffeting. Generally, the buffet predictions were considered to be quite good particularly in light of past buffet-prediction experience.

Coe, Charles F.↗

Globally optimal maneuver of distributed systems

This paper examines the globally optimal maneuver of distributed systems undergoing large overall rigid-body motion and small relative elastic motion. Using floating coordinates the rigid-body motion and the elastic motion are decoupled thereby allowing the globally optimal maneuver problem to be separated into components associated with the rigid-body and elastic motions. The maneuvers are performed using distributed maneuvering forces based on modal measurements. The modal measurements are extracted from the physical measurements using modal filters. Rest-to-rest maneuvers of a uniform beam illustrate the decentralized nature of the globally optimal solutions.

Silverberg, Larry↗

Design of a hydraulic actuator for active control of rotating machinery

A hydraulic actuator is described which consists of a pump, a hydraulic servo-valve, and a thin elastic plate which transduces the generated pressure variations into forces acting on a mass which simulates the bearing of a rotor system. An actuator characteristic number is defined to provide a base for an optimum design of force actuators with combined weight, frequency, and force considerations. This characteristic number may also be used to compare hydraulic and electromagnetic force actuators. In tests, this actuator generated 182.3 Newton force at a frequency of 100 Hz and a displacement amplitude of 5.8 x 10 exp -5 meter.

Rashidi, Majid↗

Stress patterns in an interplate shear zone - An effective anisotropic model and implications for the Transverse Ranges, California

The pervasive Quaternary strike-slip (or wrench) structure that occurs in southern California is analyzed by solving a series of planar, linear elastic boundary value problems of tractional type that assume pure shear forces at infinity. It is concluded that the cross-cutting tectonic fabric of the Transverse Ranges in southern California causes the Ranges to act as a stress concentrator. In addition, it is found that rigid rotation of the Transverse Ranges is mechanically supported by an asymmetric distribution of stress and elastic strain encircling it. It is noted that for Quaternary tectonic orientation, a clockwise sense to this rotation is expected.

Ivins, E. R.↗

Elastic-Tether Suits for Artificial Gravity and Exercise

Body suits harnessed to systems of elastic tethers have been proposed as means of approximating the effects of normal Earth gravitation on crewmembers of spacecraft in flight to help preserve the crewmembers physical fitness. The suits could also be used on Earth to increase effective gravitational loads for purposes of athletic training. The suit according to the proposal would include numerous small tether-attachment fixtures distributed over its outer surface so as to distribute the artificial gravitational force as nearly evenly as possible over the wearer s body. Elastic tethers would be connected between these fixtures and a single attachment fixture on a main elastic tether that would be anchored to a fixture on or under a floor. This fixture might include multiple pulleys to make the effective length of the main tether great enough that normal motions of the wearer cause no more than acceptably small variations in the total artificial gravitational force. Among the problems in designing the suit would be equalizing the load in the shoulder area and keeping tethers out of the way below the knees to prevent tripping. The solution would likely include running tethers through rings on the sides. Body suits with a weight or water ballast system are also proposed for very slight spinning space-station scenarios, in which cases the proposed body suits will easily be able to provide the equivalency of a 1-G or even greater load.

Torrance, Paul↗

Ab initio translationally invariant nucleon-nucleus optical potentials

We combine the ab initio symmetry-adapted no-core shell model (SA-NCSM) with the single-particle Green's function approach to construct optical potentials rooted in first principles. Specifically, we show that total cross sections and phase shifts for neutron elastic scattering from a 4 He target with projectile energies between 0.5 and 10 MeV closely reproduce the experiment. In addition, we discuss an important new development that resolves a long-standing issue with spurious center-of-mass motion in the Green's function formalism for many-body approaches. Furthermore, the new development opens a path for first-principle predictions of cross sections for elastic scattering of single-nucleon projectiles, nucleon capture, and deuteron breakup reactions, feasible for a broad range of open-shell spherical and deformed nuclei in the SA-NCSM approach.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Modeling swelling behavior of hydrogels in aqueous organic solvents

Hydrogel, a three-dimensional elastic structure of cross-linked polymer chains, swells or deswells when immersed in aqueous organic solutions. The swelling of hydrogels depends on temperature, solvent composition, and hydrogel structure as the thermodynamic driving forces for hydrogel swelling are due to solvent – hydrogel interactions and expansion of elastic network. Here in this work, polymer Nonrandom Two-Liquid activity coefficient model is used to account for the solvent – hydrogel interactions and a semi-empirical expression for rubber elasticity is used to describe the expansion of elastic network. The model successfully correlates data for both swelling and equilibrium phase compositions for n-isopropyl acrylamide hydrogels in water – ethanol, water – acetone, water – n-butanol, and water – methyl isobutyl ketone mixed solvents.

42 ENGINEERING↗

Experimental and data analysis techniques for deducing collision-induced forces from photographic histories of engine rotor fragment impact/interaction with a containment ring

An analysis method termed TEJ-JET is described whereby measured transient elastic and inelastic deformations of an engine-rotor fragment-impacted structural ring are analyzed to deduce the transient external forces experienced by that ring as a result of fragment impact and interaction with the ring. Although the theoretical feasibility of the TEJ-JET concept was established, its practical feasibility when utilizing experimental measurements of limited precision and accuracy remains to be established. The experimental equipment and the techniques (high-speed motion photography) employed to measure the transient deformations of fragment-impacted rings are described. Sources of error and data uncertainties are identified. Techniques employed to reduce data reading uncertainties and to correct the data for optical-distortion effects are discussed. These procedures, including spatial smoothing of the deformed ring shape by Fourier series and timewise smoothing by Gram polynomials, are applied illustratively to recent measurements involving the impact of a single T58 turbine rotor blade against an aluminum containment ring. Plausible predictions of the fragment-ring impact/interaction forces are obtained by one branch of this TEJ-JET method; however, a second branch of this method, which provides an independent estimate of these forces, remains to be evaluated.

Yeghiayan, R. P.↗

Proton radiation effects in indium oxide using cascade molecular dynamics simulations

Metal oxide (MO) semiconductors, characterized by their wide band gaps and notable charge transport properties, are promising candidates for electronic applications in extreme environments, including near-Earth space. However, atomistic simulations of radiation–matter interactions in MOs remain challenging due to the limitations of existing interatomic potentials, which often fail to capture both the short-range repulsive forces essential for radiation damage modeling and the long-range electrostatic effects governing defect evolution. In this work, we develop a customized interatomic potential tailored for radiation damage simulations in indium oxide (In 2 O 3 ) as a model system, a representative MO material. Our potential integrates the Ziegler-Biersack-Littmark potential to accurately describe short-range interactions with Buckingham and Coulombic potentials to account for long-range forces. We perform molecular dynamics simulations of low-energy proton irradiation using this custom potential. We employ the primary knock-on atom (PKA) cascade method to study atomic displacements and primary defect formation. Simulations were conducted for 1 keV proton irradiation in four randomly chosen directions, and PKA-driven defect analyses at 5, 10, and 15 keV to examine the effects of direction and energy level on damage generation. Our results provide insight into the impact of irradiation direction and energy level on the cascade evolution and defect formation mechanisms.

Atomistic simulations↗

ORNL_AISD_NiNb

This dataset describes the nickel-niobium solid solution binary alloy, where the two constituent elements nickel (Ni) and niobium (Nb) are randomly placed on an underlying crystal lattice. This dataset for nickel-niobium (Ni-Nb) alloys available includes the formation energy and bulk modulus for each crystal structure. Each atomic sample has a disordered phase which is obtained starting from an initial regular crystal structure of type body-centered cubic (BCC), face-centered cubic (FCC), or hexagonal compact packed (HCP). The geometry optimization ensures that all the alloy samples reached the equilibrium with negative formation energy. We perform geometry optimizations using the LAMMPS simulation package [1], a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. We utilized the embedded atom model (EAM) potential for Ni and Nb developed in a previous study [2]. The potential could describe behaviors of the liquid and solid phases of Ni-Nb alloy. The structural factors and angular distributions of three atoms are well-matched with X-ray and ab initio-based molecular dynamics data. We prepared the three different crystals with different initial lattice parameters (3.52 Ã… for FCC, 3.32 Ã… for BCC, and 3.5 Ã… for HCP). We performed energy minimization in two steps. Firstly, we minimized the structures with an isotropic unit cell to minimize the side effects from our arbitrary lattice parameters for all other compositions. Then, we applied geometry optimization with a triclinic (non-orthogonal) unit cell to fully minimize the stress components to calculate the elastic constants. In this procedure, we chose 10,000 as the maximum number of allowable steps aimed at obtaining fully relaxed atomic geometries. The dataset consists of three sets of crystal structures. The first set contains 46,086 irregular crystal structures, each of them with 54 atoms, obtained through optimization starting from a regular BCC crystal structure. The second set contains 24,543 irregular crystal structures, each of them with 32 atoms, obtained through optimization starting from a regular FCC crystal structure. The third set contains 39,303 irregular crystal structures, each of them with 48 atoms, obtained through optimization starting from a regular HCP crystal structure. The atomic configurations within each set span the possible compositional range. The three sets have been unified in a global dataset, which is extremely heterogeneous in terms of crystal structures, lattice volumes, and atomic configurations. Organization of files inside the dataset: the dataset contains three subdirectories called • BCC_opt • FCC_opt • HCP_opt based on the type of initial regular structure used to start the geometry optimization. Inside each of these folders, every atomic structure is identified by a string “A_B_Câ€, where A denotes the number of Nb in the system, B denotes index of structure with a given Nb number, and C denotes the total number of structures generated with a given Nb number. For each optimized crystal structure identified by the unique string of characters “A_B_Câ€, three files are provided: • A_B_C_opt.xyz: The optimized geometries in xyz format • A_B_C_opt.cfg: The optimized geometries in cfg format. It includes cell information and atomic energy, and forces calculated from LAMMPS. • A_B_C.elastic: Raw data of 21 elastic constants from LAMMPS output. • A_B_C.bulk: Calculated upper and lower bounds of bulk modulus and averaged one based on Voigt-Reuss-Hill approach from *.elastic. References: [1] A. P. Thompson, H. M. Aktulga, R. Berger, D. S. Bolintineanu, W. M. Brown, P. S. Crozier, P. J. in 't Veld, A. Kohlmeyer, S. G. Moore, T. D. Nguyen, R. Shan, M. J. Stevens, J. Tranchida, C. Trott, and S. J. Plimpton. LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. Comp. Phys. Comm., 271:108171, 2022. [2] Y Zhang, R Ashcraft, MI Mendelev, CZ Wang, and KF Kelton. Experimental and molecular dynamics simulation study of structure of liquid and amorphous ni62nb38 alloy. The Journal of chemical physics, 145(20):204505, 2016.

36 MATERIALS SCIENCE↗

Integrated Approach to the Dynamics and Control of Maneuvering Flexible Aircraft

This work uses a fundamental approach to the problem of simulating the flight of flexible aircraft. To this end, it integrates into a single formulation the pertinent disciplines, namely, analytical dynamics, structural dynamics, aerodynamics, and controls. It considers both the rigid body motions of the aircraft, three translations (forward motion, sideslip and plunge) and three rotations (roll, pitch and yaw), and the elastic deformations of every point of the aircraft, as well as the aerodynamic, propulsion, gravity and control forces. The equations of motion are expressed in a form ideally suited for computer processing. A perturbation approach yields a flight dynamics problem for the motions of a quasi-rigid aircraft and an 'extended aeroelasticity' problem for the elastic deformations and perturbations in the rigid body motions, with the solution of the first problem entering as an input into the second problem. The control forces for the flight dynamics problem are obtained by an 'inverse' process and the feedback controls for the extended aeroservoelasticity problem are determined by the LQG theory. A numerical example presents time simulations of rigid body perturbations and elastic deformations about 1) a steady level flight and 2) a level steady turn maneuver.

Waszak, Martin R.↗

Sliding dynamics for bubble phases on periodic modulated substrates

We analyze a bubble-forming system composed of particles with competing long-range repulsive and short-range attractive interactions driven over a quasi-one-dimensional periodic substrate. We find various pinned and sliding phases as a function of substrate strength and drive amplitude. When the substrate is weak, a pinned bubble phase appears that depins elastically into a sliding bubble lattice. For stronger substrates, we find anisotropic bubbles, disordered bubbles, and stripe phases. Plastic depinning occurs via the hopping of individual particles from one bubble to the next in a pinned bubble lattice, and as the drive increases, there is a transition to a state where all of the bubbles are moving but are continuously shedding and absorbing individual particles. This is followed at high drives by a moving bubble lattice in which the particles can no longer escape their individual bubbles. The transition between the plastic and elastic sliding phases can be detected via signatures in the velocity-force curves, differential conductivity, and noise. When the bubbles shrink due to an increase in the attractive interaction term, they fit better inside the pinning troughs and become more strongly pinned, leading to a reentrant pinning phase. For weaker attractive terms, the size of the bubbles becomes greater than the width of the pinning troughs and the depinning becomes elastic with a reduced depinning threshold. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗