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At least 91 records · Page 5

Predicting extreme anisotropy and shape variations in impact testing of tantalum single crystals

We report recent Taylor cylinder impact tests carried out for Ta single crystals showed strong variations in dimensional changes for different crystallographic directions aligned with the cylindrical axis. In order to capture the effect of crystallography on the deformation characteristics and final shapes of the impacted cylinders, a single crystal material subroutine is adapted and embedded in the solid mechanics/dynamics Finite Element solver Abaqus to simulate the aforementioned single crystal Ta Taylor impact experiments. Details of the coupled model implementation, and insights on the role played by single crystal anisotropic flow on the deformation behavior across a broad range of strain rates and temperatures for different single crystal orientations are presented and discussed. We demonstrate the predictive capability of the adopted crystal plasticity model to capture the significant role played by crystal orientation-induced anisotropy, as well as strain hardening and adiabatic heating, on the dynamic deformation response of crystalline materials. This re-emphasizes the need of microstructure-aware models to improve the accuracy of simulations for high-consequence engineering design.

36 MATERIALS SCIENCE↗

Pervasive symmetry-lowering nanoscale structural fluctuations in the cuprate La 2−𝑥 ⁢Sr 𝑥 ⁢Cu⁢O 4

The cuprate superconductors are among the most widely studied quantum materials, yet there remain fundamental open questions regarding their electronic properties and the role of structural degrees of freedom. Recent neutron and x-ray scattering measurements uncovered exponential scaling with temperature of the strength of orthorhombic fluctuations in the tetragonal phase of La 2−𝑥⁢ Sr 𝑥 ⁢Cu⁢O 4 and Tl 2 ⁢Ba 2 ⁢Cu⁢O 6+𝛿 , unusual behavior that closely resembles prior results for the emergence of superconducting fluctuations, and that points to a common origin rooted in inherent correlated structural inhomogeneity. Here, in this study, we use neutron and x-ray diffuse scattering to provide further insight into structural fluctuations in La 2−𝑥 ⁢Sr 𝑥 ⁢Cu⁢O 4 . We perform measurements up to temperatures that approach the melting point of the undoped parent compound, and we investigate the effects of in situ in-plane uniaxial elastic stress and plastic deformation. Our neutron scattering results for the parent compound La 2 ⁢Cu⁢O 4 reveal that short-range orthorhombic fluctuations persist to the maximum experimental temperature of nearly 1000 K, i.e., to a significant fraction of the crystallization temperature. At this temperature, the spatial characteristic length extracted from the momentum-space data is still about three lattice constants. The neutron scattering experiment enables quasistatic discrimination and reveals that the response is increasingly dynamic at higher temperatures. We also find that neither compressive elastic stress along the tetragonal [110] direction nor irreversible plastic deformation activating the ⟨100⟩⁢[001] slip system significantly alter the robust orthorhombic fluctuations. Overall, these results support the notion that these fluctuations couple to subtle, underlying inhomogeneity that underpins the cuprate phase diagram. Finally, in La 1.8⁢ Sr 0.2⁢ Cu⁢O 4 , we uncover low-energy structural fluctuations at a nominally forbidden reflection that are distinct from the orthorhombic distortions. While the origin of these fluctuations is not clear, they might be related to the presence of extended defects such as dislocations or stacking faults.

Spieker, R. J. [Univ. of Minnesota, Minneapolis, M↗

Gaussian ideal impulsive loading of rigid viscoplastic plates

The response of a thin, rigid, viscoplastic plate subjected to a spatially axisymmetric Gaussian ideal impulse loading was studied analytically. The Gaussian ideal impulse distribution instantaneously imparts a Gaussian initial velocity distribution to the plate, except at the fixed boundary. The plate deforms with monotonically increasing deflections until the initial dynamic energy is completely dissipated in plastic work. The simply supported plate of uniform thickness obeys the von Mises yield criterion and a generalized constitutive equation for rigid, viscoplastic materials. For the small deflection bending response of the plate, neglecting the transverse shear stress in the yield condition and rotary inertia in the equations of dynamic equilibrium, the governing system of equations is essentially nonlinear. A proportional loading technique, known to give excellent approximations of the exact solution for the uniform load case, was used to linearize the problem and obtain analytical solution in the form of eigenvalue expansions. The linearized governing equations required the knowledge of the collapse load of the corresponding static problem.

Hayduk, R. J.↗

Plasticity of irradiated materials at the nano and micro-scales

Here, we review here our recent work on plastic deformation in irradiated materials at the nano- and micro-scales, as revealed by Discrete Dislocation Dynamics (DDD) simulations. Two methods of including irradiation effects in the DDD framework are presented. The first directly captures the atomistic interaction mechanisms, while the second can effectively study high-dose irradiation. Computer simulations lead to new understanding of the dynamics of collective dislocation-irradiation defect interactions, as well as the quantitative analysis of the temporal and spatial characteristics associated with plastic instabilities. Based on these insights, theoretical models are developed to predict the critical conditions for dislocation channel formation. A simple probability model is proposed and demonstrated to predict the width of dislocation channels in bulk irradiated materials with good agreement with experimental data. The fundamental understanding of the origins of plastic flow localization in irradiated materials sheds light on the design of future generations of radiation-resistant materials.

36 MATERIALS SCIENCE↗

Enhanced superconductivity and ferroelectric quantum criticality in plastically deformed strontium titanate

The properties of quantum materials are commonly tuned using experimental variables such as pressure, magnetic field and doping. Here we explore a different approach using irreversible, plastic deformation of single crystals. We show that compressive plastic deformation induces low-dimensional superconductivity well above the superconducting transition temperature (Tc) of undeformed SrTiO3, with evidence of possible superconducting correlations at temperatures two orders of magnitude above the bulk Tc. The enhanced superconductivity is correlated with the appearance of self-organized dislocation structures, as revealed by diffuse neutron and X-ray scattering. We also observe deformation-induced signatures of quantum-critical ferroelectric fluctuations and inhomogeneous ferroelectric order using Raman scattering. Our results suggest that strain surrounding the self-organized dislocation structures induces local ferroelectricity and quantum-critical dynamics that strongly influence Tc, consistent with a theory of superconductivity enhanced by soft polar fluctuations. Our results demonstrate the potential of plastic deformation and dislocation engineering for the manipulation of electronic properties of quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Fundamental Mechanisms Controlling Dislocation-Obstacle Interactions in Metals and Alloys

This project combined modeling and experimentation across micro-meso-macro length scales to investigate the role of long-range internal stresses associated with obstacles and dislocation populations, in the deformation response of cubic metals. In addition to unique insights into the physical behavior of metals, advances were also made in modeling techniques and tools at the meso and atomistic level, and new characterization methods were developed and disseminated to the scientific community. Twenty eight journal papers, two dissertations and three theses have served as vehicles to share the gained scientific knowledge, and two open-source software packages have been developed, maintained and distributed. Additional publications are in progress.

36 MATERIALS SCIENCE↗

Elasto-plastic impact of hemispherical shell impacting on hard rigid sphere

An analysis of plastic stress waves for cylindrical metallic projectile in impact is extended to an analysis of a hemispherical shell suffereing plastic deformation during the process of impact. It is assumed that the hemispherical shell with a prescribed launch velocity impinges a fixed rigid sphere of diameter equal to the internal diameter of the shell. The dynamic biaxial state of stress present in the shell during deformation is investigated. The analysis is valuable for studying the state of stress during large plastic deformation of a hemispherical shell.

Raftopoulos, D. D.↗

Molecular dynamics studies of helium bubble effects on grain boundary fracture vulnerabilities in an Fe 70 Ni 11 Cr 19 –1%H austenitic stainless steel

Comprehensive molecular dynamics tensile test simulations have been performed to study the delamination processes of seven different grain boundaries / cleavage planes (Σ1{111}, Σ3{111}, Σ5{100}, Σ7{111}, Σ9{411}, Σ11{311}, and R{100}/{411}) containing a helium bubble. Combinations of a variety of conditions are explored including different strain rates, system dimensions, bubble density, bubble radius, bubble pressure, and temperature. We found that in general, grain boundaries absorb less energies with decreasing strain rate but increasing bubble areal density, bubble pressure, bubble radius, and temperature. The propensity of grain boundary delamination is sensitive to grain boundary type: The random grain boundary R{100}/{411} is one of the most brittle boundaries whereas the Σ1{111} cleavage plane and the Σ3{111} twin boundary are two of the toughest boundaries. The sorted list of grain boundary fracture vulnerability obtained from our dynamic tensile test simulations differs from the one obtained from our decohesion energy calculations, confirming the important role of plastic deformation during fracture. Finally, detailed mechanistic analyses are performed to interpret the simulated results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Discovery of multimechanisms of screw dislocation interaction in bcc iron from open-ended saddle point searches

Dislocation motion and interactions determine mechanical properties in body-centered cubic (bcc) metallic materials. However, studying mechanisms for the screw dislocation interaction is fundamentally challenging since many underlying processes involve mesotimescales and atomistic resolution, currently inaccessible by either experimental techniques or continuum theoretical methods. Here, in this paper, we develop a computational capability based on self-evolving atomistic kinetic Monte Carlo (SEAKMC) to sample the critical events and saddle point energies related to screw dislocations and their junctions. The method is first validated by calculating the stress dependence of Peierls barriers and formation energies of kink pairs and cross-slip kink pairs on a single screw dislocation in bcc iron. Then the method is applied to a binary junction of a pair of intersecting screw dislocations, the structure of which is crucial for low-temperature plastic deformation. We identify three important mechanisms: coplanar cross-slipping, jog-pinning, and a previously unknown unzipping mechanism during the evolution of the binary junction. The mechanisms are then further validated using classical molecular dynamics simulations. The computational capability developed in this paper provides an effective tool to evaluate screw dislocation related thermally activated events in complex stress conditions. The mechanisms discovered in this paper provide critical insights into temperature dependence of the anomalous slip, a breakdown of the Schmidt law, during the plastic deformation in bcc iron and can be generalized to other bcc metals.

36 MATERIALS SCIENCE↗

Anisotropic thermal-conductivity degradation in the phase-field method accounting for crack directionality

Dynamic loads applied to metals may lead to brittle or ductile fracture depending on the imposed strain rates, material properties, and specimen geometry. With an increase in the applied velocity, brittle to ductile failure mode transition may also be observed. Furthermore, at high strain rates, ductile fracture may be preceded by shear bands, which are narrow bands of intense plastic deformation, typically accompanied by a significant rise in temperature. Reliable models are needed to predict the response of metals subject to dynamic loads. In particular, capturing the interplay between heat conduction and crack propagation using the phase-field fracture method is still an open research field. To accurately capture the heat transfer physics across crack surfaces, damage models degrading thermal-conductivity are necessary. While isotropic thermal-conductivity degradation models were proposed, they may lead to errors as they are indifferent to crack directionality. In our current work, a new anisotropic approach is proposed in which thermal-conductivity, which depends on the phase-field gradient, is degraded solely across the crack. Here, it is shown that this approach improves the near-field approximation of temperature and heat flux compared with isotropic degradation, when taking the discontinuous crack solutions as reference. Additionally, the anisotropic degradation approach is implemented in a unified dynamic fracture model and a couple of examples demonstrate the viability of this approach.

42 ENGINEERING↗

Interface microstructure effects on dynamic failure behavior of layered Cu/Ta microstructures

Abstract Structural metallic materials with interfaces of immiscible materials provide opportunities to design and tailor the microstructures for desired mechanical behavior. Metallic microstructures with plasticity contributors of the FCC and BCC phases show significant promise for damage-tolerant applications due to their enhanced strengths and thermal stability. A fundamental understanding of the dynamic failure behavior is needed to design and tailor these microstructures with desired mechanical responses under extreme environments. This study uses molecular dynamics (MD) simulations to characterize plasticity contributors for various interface microstructures and the damage evolution behavior of FCC/BCC laminate microstructures. This study uses six model Cu/Ta interface systems with different orientation relationships that are as- created, and pre-deformed to understand the modifications in the plasticity contributions and the void nucleation/evolution behavior. The results suggest that pre-existing misfit dislocations and loading orientations (perpendicular to and parallel to the interface) affect the activation of primary and secondary slip systems. The dynamic strengths are observed to correlate with the energy of the interfaces, with the strengths being highest for low-energy interfaces and lowest for high-energy interfaces. However, the presence of pre-deformation of these interface microstructures affects not only the dynamic strength of the microstructures but also the correlation with interface energy.

42 ENGINEERING↗

Recent Developments in Gun Operating Techniques at the NASA Ames Ballistic Ranges

This paper describes recent developments in gun operating techniques at the Ames ballistic range complex. This range complex has been in operation since the early 1960s. Behavior of sabots during separation and projectile-target impact phenomena have long been observed by means of short-duration flash X-rays: new versions allow operation in the lower-energy ("soft") X-ray range and have been found to be more effective than the earlier designs. The dynamics of sabot separation is investigated in some depth from X-ray photographs of sabots launched in the Ames 1.0 in and 1.5 in guns; the sabot separation dynamics appears to be in reasonably good agreement with standard aerodynamic theory. Certain sabot packages appear to suffer no erosion or plastic deformation on traversing the gun barrel, contrary to what would be expected. Gun erosion data from the Ames 0.5 in, 1.0 in, and 1.5 in guns is examined in detail and can be correlated with a particular non- dimensionalized powder mass parameter. The gun erosion increases very rapidly as this parameter is increased. Representative shapes of eroded gun barrels are given. Guided by a computational fluid dynamics (CFD) code, the operating conditions of the Ames 0.5 in and 1.5 in guns were modified. These changes involved: (1) reduction in the piston mass, powder mass and hydrogen fill pressure and (2) reduction in pump tube volume, while maintaining hydrogen mass. These changes resulted in muzzle velocity increases of 0.5-0.8 km/sec, achieved simultaneously with 30-50 percent reductions in gun erosion.

Bogdanoff, D. W.↗

Serrated Flow in Alloy Systems

This chapter presents the problem of the complexity of plastic flow in alloys, which is manifested by serrated deformation curves and transient plastic strain localizations. This phenomenon, which uncovers an inherently collective nature of the dynamics of crystal defects, is well known for conventional alloys. Surprisingly, despite the particular microstructure of HEAs, which strongly impacts the microscopic dynamics of defects, not only the HEAs are prone to the macroscopically jerky flow, but the serration patterns display many similar features, thus bearing evidence to similar laws for the collective dynamics. To provide a comprehensive approach to this problem, the chapter is subdivided into two parts. The first part presents the state-of-the art of this research under the angle of distinct regimes of collective dislocation dynamics found in conventional alloys, e.g., self-organized criticality, deterministic chaos, or synchronization. The second part summarizes recent investigations into serrated flows in HEAs, uncovering common and specific types of behaviors. Both parts conclude with the formulation of diverse open questions concerning these strongly coupled fields of research.

Lebyodkin, Mikhail↗

Convection-driven tectonics on Venus

An analysis is presented of convective stress coupling to an elastic lithosphere as applied to Venus. Theoretical solutions are introduced for the response of a mathematically thick elastic plate overlying a Newtonian viscous medium with an exponential depth dependence of viscosity, and a Green's function solution is obtained for the viscous flow driven by a harmonic density distribution at a specified depth. An elastic-plastic analysis is carried out for the deformation of a model Venus lithosphere. The results predict that dynamic uplift of Venusian topography must be accompanied by extensive brittle failure and viscous flow in the lithosphere.

Phillips, Roger J.↗

High-temperature deformation mechanisms in a BCC+B2 refractory complex concentrated alloy

The current study reports the analysis of the deformation mechanisms at 600 °C in a two-phase, BCC+B2, refractory complex concentrated alloy (RCCA) Al 0.5 NbTa 0.8 Ti 1.5 V 0.2 Zr. At this temperature, the alloy microstructure is unstable and dynamic coarsening of B2 precipitates is evidenced during the mechanical testing. After true plastic strain of 0.030 at strain rate of 10 -4 s -1 , the deformation becomes highly localized in wavy bands reflecting the profusion of cross-slip. Scanning transmission electron microscopy (STEM) observations highlight the presence of paired a/2$\langle$111$\rangle$ dislocations that shear the B2 precipitates in a cooperative process. Additionally, some chemical segregation effect is observed along the narrow dislocation bands likely induced to decrease the antiphase boundary (APB) energy of the system.

ordering↗

Unraveling the discontinuous plastic flow of a Co-Cr-Fe-Ni-Mo multiprincipal-element alloy at deep cryogenic temperatures

We report an analysis of the discontinuous plastic flow of a multiprincipal-element alloy, Co 17.5 Cr 12.5 Fe 55 Ni 10 Mo 5 (atomic percent, at. %), in the temperature range of 0.5–4.2 K showing serrated deformation curves. Using the analytical techniques, we studied the statistics of the stress drops associated with the unstable plastic flow. The analysis showed that the complexity and heterogeneity of a discontinuous plastic flow were reduced when the temperature was lowered. This behavior was associated with the effects of dynamic recovery and adiabatic heating on the dislocation-density evolution.

36 MATERIALS SCIENCE↗

Columnar Grain-driven Plasticity and Cracking in Nanotwinned FCC Metals

The mechanisms of strengthening and plasticity in columnar-grained metals with preferentially oriented nano-sized twins have been examined traditionally by considering dislocation processes, but rarely from the perspective of grain boundary (GB) deformation. Here, the effects of GB strain accommodation on plastic deformation in four different columnar-grained nanocrystalline nanotwinned (nt) face-centered-cubic metals (Cu, Ag, Al, and Ni) were studied by large-scale molecular dynamics simulations. It is observed that in tensile deformation parallel to coherent twin boundaries (CTBs), the dislocation mechanisms in each metal are identical and associated with GB emissions of jog and threading dislocations at small and large CTB spacings, respectively. However, CTB strengthening effects are increasingly more pronounced in columnar-grained nt metals as their shear modulus increases, which is rationalized by the dependence of GB stress concentrations on twin size, metal type and strain rate. Also, while flow stresses in nt-Cu, nt-Ag, and nt-Al metals increase linearly with decreasing CTB spacing, a maximum strength limit is reached in nt-Ni below a critical CTB spacing of 6 nm. The strength limit in nt-Ni results from columnar GB cracking induced by prominent GB sliding. For columnar-grained microstructures, GB sliding is equivalent in nt-Ag and nt-Al and slightly lower in nt-Cu but markedly higher in nt-Ni. These findings underscore the importance of new GB deformation mechanisms on plasticity and fracture in columnar-grained nt metals and enrich our understanding of CTB strengthening in fcc metals synthesized in the literature.

36 MATERIALS SCIENCE↗