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At least 253 records · Page 14

Local lattice distortions and the structural instabilities in bcc Nb–Ta–Ti–Hf high-entropy alloys: An ab initio computational study

Local lattice distortions (LLD) and structural stability of body-centered cubic (bcc) Nb–Ta–Ti–Hf high-entropy alloys (HEAs) are studied as functions of composition employing ab initio density-functional theory calculations, with specific focus on the role of the relative concentrations of group IV (Ti and Hf) versus group V (Nb and Ta) elements. Calculated results are presented as a function of composition x in Nb x Ta 0.25 Ti (0.75-x)/2 Hf (0.75-x)/2 alloys, for elastic moduli, phonon spectral functions, LLD and structural energy differences for the bcc and competing hexagonal close-packed (hcp) and ω phases. The results highlight the important role of group V elements and LLD in stabilizing the bcc structure. They further reveal how composition x can be tuned to alter both the magnitude of the LLD and structural energy differences. Specifically, the magnitude of the structural energy differences, and elastic and dynamic stability of the bcc phase, are enhanced with increasing x, while the LLD increase in magnitude as this concentration is decreased. The results also show evidence of correlated LLD at lower values of x, reflecting local structural distortions towards the ω phase, but not hcp. The degree of ω-collapse is nevertheless partial i.e., transformation towards this phase is not observed to be complete due to the presence of Ta and Nb. At lower values of x we further find an energy landscape characterized by multiple, nearly degenerate local energy minima for different values of the LLD.

36 MATERIALS SCIENCE↗

Lattice panels with high structural efficiency

By orienting strips for maximum strength, composite lattice panel is nearly as strong as "conventional" composite panels. They can be custom-tailored for various applications and also be useful in moderately loaded structures.

Mikulas, M. M., Jr.↗

Identification of the dynamics of a two-dimensional grid structure using least square lattice filters

It is doubtful whether the dynamics of large space structures (LSS) can be predicted well enough for control system design applications. Hence, dynamic modeling from on-orbit measurements followed by a modification of the control system is of interest, taking into account the utilization of adaptive control concepts. The present paper is concerned with the model determination phase of the adaptive control problem. Using spectral decoupling to determine mode shapes, mode frequency and damping data can be obtained with the aid of an equation error parameter identification method. This method employs a second-order auto-regressive moving average (ARMA) model to represent the natural mode amplitudes. The discussed procedure involves an extension of the application of the least square lattice filter in system identification to a nonintegral, two-dimensional grid structure made of overlapping bars.

Montgomery, R. C.↗

Passive damping augmentation of flexible beam-like lattice trusses for large space structures

A Timoshenko beam continuum model is developed to determine the transient response of a beam-like latticed large space structure, subjected to a unit impulse. It is demonstrated that an increase in diagonal stiffness, on account of the stiffness of the vertical girder, leads to a rise in the transverse shear rigidity. This results in higher natural frequencies and reduction in peak displacement. In addition, in an asymmetrical truss configuration, coupling between the extensional and shear modes raises the maximum peak displacement compared with that obtained for a symmetrical truss. The model is modified to investigate the introduction of passive damping in the form of several dynamic vibration absorbers. A unique absorber parameter optimization procedure, based on the classical steady-state criteria, is used to tune the absorbers, having a total allocated mass budget of 10%, to the first two frequencies of the latticed structure. It is found that inclusion of transverse shear rigidity as a design parameter in damping augmentation studies reduces settling time for predetermined maximum peak displacements.

Cohen, K.↗

A fully-integrated lattice Boltzmann method for fluid–structure interaction

Here we present a fully-integrated lattice Boltzmann (LB) method for fluid–structure interaction (FSI) simulations that efficiently models deformable solids in complex suspensions and active systems. Our Eulerian method (LBRMT) couples finite-strain solids to the LB fluid on the same fixed computational grid with the reference map technique (RMT). An integral part of the LBRMT is a new LB boundary condition for moving deformable interfaces across different densities. With this fully Eulerian solid–fluid coupling, the LBRMT is well-suited for parallelization and simulating multi-body contact without remeshing or extra meshes. We validate its accuracy via a benchmark of a deformable solid in a lid-driven cavity, then showcase its versatility through examples of soft solids rotating and settling. The LBRMT achieves a spatial convergence rate between first-order and second-order for FSI simulations and is designed for low to intermediate Reynolds number flows with finite inertia at small Mach numbers. With simulations of complex suspensions mixing, we highlight the potential of the LBRMT for studying collective behavior in soft matter and biofluid dynamics.

97 MATHEMATICS AND COMPUTING↗

Elastic wave suppression through additively manufactured petal lattice metamaterials

Lattice-core sandwich structure metamaterials are lightweight alternatives to monolithic materials that can present better mechanical, thermal, and energy dampening performance. Manufacturing lattice metamaterials to follow curved surfaces can pose a challenge, as the lattices rely on their geometric orientation to the substrate for their mechanical properties. This work rationally designed a lattice structure where the surface is broken up into “petals” connected to the underlying lattice, which localizes the petals’ impact response. This design opens a pathway for implementation of lattice-core sandwich structures onto complex surface geometries. These petal structures were evaluated for their energy absorption efficiency experimentally by utilizing pressure waves generated with nanosecond lasers and computationally via finite element modeling. The lattice structures exhibited a two-orders-of-magnitude decrease in transmitted pressure compared to their constituent steel at equivalent mass. Furthermore, localizing energy absorption into petal structures provided a 44% reduction in peak load compared to a continuous “single-petal” design.

Sarracino, Alex↗

Identification of the dynamics of a two-dimensional grid structure using least square lattice filters

The basic theory of least square lattice filters and their use in identification of structural dynamics systems is summarized. Thereafter, this theory is applied to a two-dimensional grid structure made of overlapping bars. Previously, this theory has been applied to an integral beam. System identification results are presented for both simulated and experimental tests and they are compared with those predicted using finite element modelling. The lattice filtering approach works well for simulated data based on finite element modelling. However, considerable discrepancy exists between estimates obtained from experimental data and the finite element analysis. It is believed that this discrepancy is the result of inadequacies in the finite element modelling to represent the damped motion of the laboratory apparatus.

Montgomery, R. C.↗

Structural changes during milling of aluminum oxide powders

The mechanical activation of four fused corundum powders and a calcined Al2O3 powder was studied. The milled powders were characterized by their structural properties, crystallite size, and lattice distortions. Structural changes during milling, detected by X-ray line broadening analysis, gave information about the enhanced activity of the powders caused by the lattice distortions and by the decreasing crystallite size during milling. The structural changes during milling, under the same milling conditions, can be quite different for the same ceramic material, but with different characteristics in the as received state.

Ziepler, G.↗

Spin Dynamics of Triple-𝐐 Magnetic Orderings in a Triangular Lattice: Implications for Multi-𝐐 Orderings in General Two-Dimensional Lattices

Multi-𝐐 magnetic structures on two-dimensional (2D) lattices provide a key route to realizing topological physics in 2D magnetism. A major experimental challenge is to unambiguously confirm their formation by excluding the possibility of topologically trivial multidomain single- or double-𝐐 magnetic orders, which cannot be distinguished using conventional diffraction techniques. Here, we propose that long-wavelength spin dynamics offers a universal diagnostic for triangular lattices: Triple-𝐐 orders that preserve rotational symmetry and single- or double-𝐐 orders that break it exhibit qualitatively distinct anisotropies in their Goldstone-mode velocities, stemming from fundamental differences in their underlying spin configurations. We validate this concept using the metallic triangular-lattice antiferromagnet Co 0.325 ⁢TaS 2 , which hosts both a stripe-type single-𝐐 state and a triple-𝐐 tetrahedral ordering at different temperatures. Using inelastic neutron-scattering and spin dynamics simulations, we first refine the spin Hamiltonian by fitting the paramagnetic excitation spectra, allowing us to develop an unbiased model independent of magnetic ordering. We then show that the observed velocity profiles of the Goldstone modes agree with the high-temperature model’s predictions: markedly anisotropic for the single-𝐐 phase and near isotropic for the triple-𝐐 phase. Importantly, this contrast persists across various exchange parameters, highlighting its model-independent nature and suggesting potential applicability to other 2D lattice systems. Beyond the long-wavelength regime, we present a substantial discrepancy between the measured and simulated magnon spectra exclusively in the triple-𝐐 phase. We attribute this discrepancy to magnon energy renormalization arising from order-of-magnitude-enhanced magnon-magnon interactions in the triple-𝐐 phase, due to its noncollinear configuration. This work provides universal insight into the dynamical properties of topological multi-𝐐 magnetic orderings in 2D lattice structures, offering a broadly applicable diagnostic to distinguishing them from topologically trivial single- or double-𝐐 counterparts. The unequivocal confirmation of the triple-𝐐 structure in Co 0.325 ⁢TaS 2 further establishes it as a prominent material platform for exploring topological spin textures in the genuine 2D limit.

Park, Pyeongjae [Oak Ridge National Laboratory (OR↗

Design, fabrication, simulation, and testing of additively manufactured lattice-based copper heat sinks

Here, this study investigates the potential advantages of lattice structure-based bound metal material extrusion (MEX) 3D printing for fabricating high-performance copper heat sinks. Copper powder-filled polymer filaments, with a copper content of > 90 wt.%, were developed specifically for the bound metal MEX 3D printing process. Three types of structures—planar, strut, and surface lattices—were 3D printed to facilitate efficient heat transfer pathways within the heat sinks. Subsequent post-processing steps, including polymer removal and sintering, were performed to achieve dense copper parts. Hot isostatic pressing was further employed to enhance the sintered density from 93 to 98%. Finite element analysis (FEA) simulations were conducted to assess the heat transfer efficiency of the designs, and heat transfer experiments were performed using a custom setup to validate the simulation results. Additionally, this research explores the use of extended hold times during pre-sintering and a reduced atmosphere to enhance the %IACS values (electrical conductivity) and thermal performance of the bound metal MEX 3D printed copper heat sinks. The investigation combines experimental analysis, including simulations and heat transfer experiments, to gain insights into the structure-material property relationships and optimize the thermal performance of the printed heat sinks.

Ajjarapu, Kameswara Pavan Kumar [Oak Ridge Nationa↗

A New Approach to Structural Failure Detection Based on Adaptive Lattice Filtering

A new approach to structural failure detection and localization is introduced based on acoustic reflections. It is shown that the cross-sectional areas of structural elements can be computed directly in terms of the reflection coefficients of an optimal finite impulse response Wiener filter realized in lattice form.

structural↗

Ab initio Computations of the Electronic, Mechanical, and Thermal Properties of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2

Refractory materials such as metallic borides, often considered as ultra high temperature ceramics (UHTC), are characterized by high melting point, high hardness, and good chemical inertness. These materials have many applications which require high temperature materials that can operate with no or limited oxidation. Ab initio, first principles methods are the most accurate modeling approaches available and represent a parameter free description of the material based on the quantum mechanical equations. Using these methods, many of the intrinsic properties of these material can be obtained. We performed ab initio calculations based on density functional theory for the UHTC materials ZrB2 and HfB2. Computational results are presented for structural information (lattice constants, bond lengths, etc), electronic structure (bonding motifs, densities of states, band structure, etc), thermal quantities (phonon spectra, phonon densities of states, specific heat), as well as information about point defects such as vacancy and antisite formation energies.

Lawson, John W.↗

Adaptive identification and control of structural dynamics systems using recursive lattice filters

A new approach for adaptive identification and control of structural dynamic systems by using least squares lattice filters thar are widely used in the signal processing area is presented. Testing procedures for interfacing the lattice filter identification methods and modal control method for stable closed loop adaptive control are presented. The methods are illustrated for a free-free beam and for a complex flexible grid, with the basic control objective being vibration suppression. The approach is validated by using both simulations and experimental facilities available at the Langley Research Center.

Sundararajan, N.↗

Evaluation of Superalloy 718 Additively Manufactured Lattice Blocks

Lattice block structures made up of high temperature superalloys could offer advantages in density, efficiency, and tailored properties. Three candidate lattice designs were screened through additive manufacturing of superalloy 718. Laser powder bed fusion was applied with 718 powder to produce lattice blocks for three-dimensional octahedral unit cell designs of three heights. As-designed versus additively manufactured 718 lattices were compared, including structural dimensions, densities, defects, grain structures, crystallographic texture, and surface residual stresses. Manufactured lattice I diverged the most from its design, with both corner and center nodes merged into continuous columns. Manufactured lattice III came closest to its design, though the actual nodes and struts were still larger in cross section than in the design. Only modest grain coarsening and negligible chemical segregation were observed for all three designs, suggesting uniform thermo-physical and mechanical properties are possible. Significant tensile residual stresses were present at the surface of the manufactured blocks, with highest stresses in the building direction. Current findings indicate this concept could produce useful superalloy structures for high-temperature-capable static components requiring tailored density, and thermo-physical/mechanical properties.

super alloys↗

Structural Benchmark Testing of Superalloy Lattice Block Subelements Completed

Superalloy lattice block panels, which are produced directly by investment casting, are composed of thin ligaments arranged in three-dimensional triangulated trusslike structures (see the preceding figure). Optionally, solid panel face sheets can be formed integrally during casting. In either form, lattice block panels can easily be produced with weights less than 25 percent of the mass of a solid panel. Inconel 718 (IN 718) and MarM-247 superalloy lattice block panels have been developed under NASA's Ultra-Efficient Engine Technology Project and Higher Operating Temperature Propulsion Components Project to take advantage of the superalloys' high strength and elevated temperature capability with the inherent light weight and high stiffness of the lattice architecture (ref. 1). These characteristics are important in the future development of turbine engine components. Casting quality and structural efficiency were evaluated experimentally using small beam specimens machined from the cast and heat treated 140- by 300- by 11-mm panels. The matrix of specimens included samples of each superalloy in both open-celled and single-face-sheet configurations, machined from longitudinal, transverse, and diagonal panel orientations. Thirty-five beam subelements were tested in Glenn's Life Prediction Branch's material test machine at room temperature and 650 C under both static (see the following photograph) and cyclic load conditions. Surprisingly, test results exceeded initial linear elastic analytical predictions. This was likely a result of the formation of plastic hinges and redundancies inherent in lattice block geometry, which was not considered in the finite element models. The value of a single face sheet was demonstrated by increased bending moment capacity, where the face sheet simultaneously increased the gross section modulus and braced the compression ligaments against early buckling as seen in open-cell specimens. Preexisting flaws in specimens were not a discriminator in flexural, shear, or stiffness measurements, again because of redundant load paths available in the lattice block structure. Early test results are available in references 2 and 3; more complete analyses are scheduled for publication in 2004.

Source record↗

Lattice Relaxations in Bixbyite‐Structured Rare‐Earth Sesquioxides

This report examines atomic relaxations in rare‐earth sesquioxides with the cubic bixbyite crystal structure. In particular, the experimentally determined unit cell atom positions in bixbyite compounds are compared to “ideal” bixbyite atom positions, where the concept of ideality is based on similarities between the bixbyite and fluorite crystal structures. Analyses indicate that all rare‐earth sesquioxide compounds deviate from ideality in similar ways and that there is a trend wherein the magnitudes of these atomic deviations decrease with increasing cationic size. The deviations from an ideal, fluorite‐like structure produce highly distorted coordination polyhedra and variations in metal‐oxygen bond lengths. A modified bond valence sum analysis revealed that the first nearest neighbor cation‐anion bond length variations lead to large (20%) variations in cation‐anion bond strength. This report also provides a qualitative analysis regarding the accuracy of atomic relaxed deviation parameters, based on x‐ray diffraction measurements. The analysis indicates that uncertainties in the accuracy of measured oxygen relaxed deviation parameters in bixbyite sesquioxides are likely much greater than the published uncertainties.

36 MATERIALS SCIENCE↗

Lattice and Local Electronic Structure Modulation Enables Ultra-Long-Life Li-Rich Cathode Materials

Effectively alleviating severe performance deterioration including rapid capacity decay and continuous voltage fading of Li-rich layered oxide (LLO) cathodes by suppressing the irreversible oxygen release and transition metal (TM) migration is a critical challenge during prolonged cycling. Herein, we report a Sb-doped LLO (SLLO) cathode with shortened TM oct –TM oct distance and modulated local electronic structure, which can significantly enhance the oxygen vacancy formation energy and TM migration energy barriers. Therefore, the SLLO cathode showcases an impressive energy density of 1052 Wh kg –1 at 0.2 C and an outstanding rate capability of 214 mAh g –1 at 5 C with a remarkable capacity retention of 79.2% even after 1000 cycles. It should be pointed out that it exhibits greatly enhanced voltage stability with an outstanding voltage retention of 86.2% after cycling 1600 times at 10 C. In conclusion, this work provides a prototype for significantly enhancing the reversibility in electrochemical reactions of high-capacity layered cathode materials.

25 ENERGY STORAGE↗