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At least 1,495 records · Page 83

Thermoelectric performance in disordered Cu 2 ZnSnSe 4 nanostructures driven by ultra-low thermal conductivity

Here, high-energy reactive mechanical alloying (ball milling) was used to synthesize tetragonal and cubic polymorphs of Cu 2 ZnSnSe 4 . The ordered tetragonal (I-4) polymorph undergoes a phase transition above 400 K into a Cu-Zn disordered tetragonal (I-42 m) polymorph, while the cubic (F-43 m) polymorph with full cation disorder is stabilized at room temperature. Both polymorphs show ultra-low thermal conductivities, 0.42 W m -1 K -1 at 722 K and 0.21 W m -1 K -1 at 523 K for the disordered tetragonal and cubic phases respectively. The cubic polymorph has a higher zT in the low-temperature range, peaking at 0.26 (523 K), while the disordered tetragonal has a maximum zT of 0.46 at 712 K. The latter is the highest reported zT for stoichiometric Cu 2 ZnSnSe 4 , comparable to the best-performing doped materials in the literature. A combination of experimental results and ab-initio calculations point to a coupling between structural disorder and microstructure as the mechanism behind the reported performance.

36 MATERIALS SCIENCE↗

The influence of stacking faults on mechanical behavior of advanced materials

We report there are abundant studies on deformation mechanisms in metallic materials dominated by grain boundaries and twin boundaries. In comparison, the influence of stacking faults on deformation mechanisms of materials remains less well understood. Recent studies have shown that when the density of stacking faults increases sharply, their influence on mechanical behavior of metallic or ceramic materials becomes prominent, and in fact, dominates in some cases. This article reviews recent research progress on how nanoscale stacking faults impact the mechanical behavior of metallic and ceramic materials. We primarily focus on studies that reveal the formation of pre-existing stacking faults, their interactions with dislocations, and phase transformations during plastic deformation as evidenced by experiments and simulations. The aim of this review is to highlight the potential opportunities in using stacking faults to tailor the deformation mechanisms of advanced materials.

36 MATERIALS SCIENCE↗

Engine Operating Conditions that Cause Thermal-Fatigue Cracks in Turbojet-Engine Buckets

Five engine tests were conducted to definitely establish the failure mechanism of leading-edge cracking and to determine which conditions of engine operation cause the failures. Five groups of S-616 and M-252 buckets from master lots were run consecutively in the same J47-25 engine. The tests included a steady-state run at full-power conditions, rapid cycling between idle and rated speed, and three different start-stop tests. The first start-stop test consisted of cycles of start and stop with 5 minutes of idle speed before each stop; the second included cycles of start and stop but with 15 minutes of rated speed before each stop; the third consisted of cycles of gradual starts and normal stops with 5 minutes at idle speed before each stop. The test results demonstrated that the primary cause of leading-edge cracking was thermal fatigue produced by repeated engine starts. The leading edge of the bucket experiences plastic flow in compression during starts and consequently is subjected to a tensile stress when the remainder of the bucket becomes heated and expands. Crack initiation was accelerated when rated-speed operation was added to each normal start-stop cycle. This acceleration of crack formation was attributed to localized creep damage and perhaps to embrittlement resulting from overaging. It was demonstrated that leading-edge cracking can be prevented simply by starting the engine gradually.

Johnston, James R.↗

Chromoanagenesis in plants: triggers, mechanisms, and potential impact

Chromoanagenesis is a single catastrophic event that involves, in most cases, localized chromosomal shattering and reorganization, resulting in a dramatically restructured chromosome. First discovered in cancer cells, it has since been observed in various other systems, including plants. In this review, we discuss the origin, characteristics, and potential mechanisms underlying chromoanagenesis in plants. Here, we report that multiple processes, including mutagenesis and genetic engineering, can trigger chromoanagenesis via a variety of mechanisms such as micronucleation, breakage–fusion–bridge (BFB) cycles, or chain-like translocations. The resulting rearranged chromosomes can be preserved during subsequent plant growth, and sometimes inherited to the next generation. Because of their high tolerance to genome restructuring, plants offer a unique system for investigating the evolutionary consequences and potential practical applications of chromoanagenesis.

59 BASIC BIOLOGICAL SCIENCES↗

A data driven approach for cross-slip modelling in continuum dislocation dynamics

Cross-slip is a thermally activated process by which screw dislocation changes its glide plane to another slip plane sharing the same Burgers vector. The rate at which this process happens is determined by a Boltzmann type expression that is a function of the screw segment length and the stress acting on the dislocation. In continuum dislocation dynamics (CDD), the information regarding the length of the screw dislocation segment and local stress state on dislocations are lost due to the coarse-grained representation of the density. Here, in this work, a data driven approach to characterize the lost information by analyzing the discrete dislocation configurations is proposed to enable cross-slip modeling in the CDD framework in terms of the coarse-grained dislocation density and stress fields. The analysis showed that the screw segment length follows an exponential distribution, and the stress fluctuations, defined as the difference between the stress on the dislocations and the mean field stress in CDD, follows a Lorentzian distribution. A novel approach for cross slip implementation in CDD employing the screw segment length and stress fluctuation statistics was proposed and rigorously tested by comparing the CDD cross-slip rates with discrete dislocation dynamics (DDD) rates. This approach has been applied in conjunction with three cross-slip models used in DDD simulations differing mainly in the functional form of cross slip activation energy. It was found that different cross-slip activation energy formulations yielded different cross-slip rates, yet the effect on mechanical stress-strain response and dislocation density evolution was minimal for the [001] type loading.

42 ENGINEERING↗

A physics-informed multi-agents model to predict thermo-oxidative/hydrolytic aging of elastomers

This paper introduces a novel physics-informed multi-agents constitutive model to propose prediction in quasi-static constitutive behavior of cross-linked elastomer and the loss of mechanical performance during environmental aging. The presented model is used to simulate the effect of single-mechanism chemical aging (i.e. thermal-inducedor hydrolytic aging) on the behavior of the material in this hybrid framework. Those environmental single-mechanism damages change the polymer matrix over time due to massive chain scission, chain formations, and changing the arrangement of molecules in the polymer matrix. Here we propose a data-driven super-constrained machine-learned engine to represent damage in the polymer matrix and capture the changes in material behavior, including its inelastic features such as Mullins effect and permanent set in the course of aging. We have simplified the 3D stress–strain tensor mapping problem into a small number of super-constrained 1D mapping problems by means of a sequential order reduction. An assembly of multiple replicated conditional neural-network learning-agents (L-agents) is trained to systematically simplify the high-dimensional mapping problem into multiple 1D problems, each represented by a different type of agent. Our hybrid framework is designed to capture the effect of deformation history, aging time, and aging temperature. The model is validated with respect to a comprehensive set of experiments specifically designed to benchmark model capabilities and also against available data in the literature. Thermodynamic consistency and frame independency have been verified. Besides acceptable predictive abilities, a significant reduction of computational cost to predict behavior at multiple states of deformation is the most significant feature of this model.

42 ENGINEERING↗

Poly(vinyl alcohol) Hydrogels with Broad-Range Tunable Mechanical Properties via the Hofmeister Effect

Hydrogels, exhibiting wide applications in soft robotics, tissue engineering, implantable electronics, etc., often require sophisticately tailoring of the hydrogel mechanical properties to meet specific demands. For examples, soft robotics necessitates tough hydrogels; stem cell culturing demands various tissue-matching modulus; and neuron probes desire dynamically tunable modulus. Herein, a strategy to broadly alter the mechanical properties of hydrogels reversibly via tuning the aggregation states of the polymer chains by ions based on the Hofmeister effect is reported. An ultratough poly(vinyl alcohol) (PVA) hydrogel as an exemplary material (toughness 150 ± 20 MJ m -3 ), which surpasses synthetic polymers like poly(dimethylsiloxane), synthetic rubber, and natural spider silk is fabricated. With various ions, the hydrogel's various mechanical properties are continuously and reversibly in situ modulated over a large window: tensile strength from 50 ± 9 kPa to 15 ± 1 MPa, toughness from 0.0167 ± 0.003 to 150 ± 20 MJ m -3 , elongation from 300 ± 100% to 2100 ± 300%, and modulus from 24 ± 2 to 2500 ± 140 kPa. Importantly, the ions serve as gelation triggers and property modulators only, not necessarily required to remain in the gel, maintaining the high biocompatibility of PVA without excess ions. Overall, this strategy, enabling high mechanical performance and broad dynamic tunability, presents a universal platform for broad applications from biomedicine to wearable electronics.

36 MATERIALS SCIENCE↗

Algebraic Multigrid with Filtering: An Efficient Preconditioner for Interior Point Methods in Large-Scale Contact Mechanics Optimization

Large-scale contact mechanics simulations are crucial in many engineering fields such as structural design and manufacturing. In the frictionless case, contact can be modeled by minimizing an energy functional; however, these problems are often nonlinear, nonconvex, and increasingly difficult to solve as mesh resolution increases. In this work, we employ a Newton-based interior-point (IP) filter line-search method, an effective approach for large-scale constrained optimization. While this method converges rapidly, each iteration requires solving a large saddle-point linear system that becomes ill-conditioned as the optimization process converges, largely due to IP treatment of the contact constraints. Such ill-conditioning can hinder solver scalability and increase iteration counts with mesh refinement. Here, to address this, we introduce a novel preconditioner, algebraic multigrid with filtering (AMGF), tailored to the Schur complement of the saddle-point system. Building on the classical AMG solver, commonly used for elasticity, we augment it with a specialized subspace correction that filters near null space components introduced by contact interface constraints. Through theoretical analysis and numerical experiments on a range of linear and nonlinear contact problems, we demonstrate that the proposed solver achieves mesh independent convergence and maintains robustness against the ill-conditioning that notoriously plagues IP methods. These results indicate that AMGF makes contact mechanics simulations more tractable and broadens the applicability of Newton-based IP methods in challenging engineering scenarios. More broadly, AMGF is well suited for problems, optimization or otherwise, where solver performance is limited by a low-dimensional subspace, such as those arising from localized constraints, interface conditions, or model heterogeneities. This makes the method widely applicable beyond contact mechanics and constrained optimization.

Mathematics and Computing↗

Chapman–Jouguet deflagration criteria and compressibility dynamics of turbulent fast flames for turbulence-induced deflagration-to-detonation transition

This work characterizes the compressibility dynamics in turbulent fast flames for a range of turbulent flame speeds. These turbulent fast flames experience increased effects of compressibility through the formation of strong shocks and may develop a runaway acceleration combined with a pressure buildup that leads to turbulence induced deflagration-to-detonation transition (tDDT). Simultaneous high-speed particle image velocimetry, OH* chemiluminescence, schlieren, and pressure measurements are used to examine the reacting flow field and flame dynamics. We examine flames with turbulent flame speeds ranging from 100 to 600 m/s. At lower turbulent flame speeds, the flame is not able to produce favorable background conditions for deflagration-to-detonation transition (DDT) onset, and thus flame compressibility and turbulence amplification are less dominant, resulting in a weaker acoustic coupling between the flame and compressed region. As the turbulent burning velocities exceed the Chapman–Jouguet deflagration speed, favorable background conditions are produced, as we observe flame-generated shocks and flame-generated turbulence with higher turbulent velocities and larger turbulent scales. At this regime, the flame is categorized to be at the runaway transition regime that leads to tDDT.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Toward a Model-Based Approach for Flight System Fault Protection

Use SysML/UML to describe the physical structure of the system This part of the model would be shared with other teams - FS Systems Engineering, Planning & Execution, V&V, Operations, etc., in an integrated model-based engineering environment Use the UML Profile mechanism, defining Stereotypes to precisely express the concepts of the FP domain This extends the UML/SysML languages to contain our FP concepts Use UML/SysML, along with our profile, to capture FP concepts and relationships in the model Generate typical FP engineering products (the FMECA, Fault Tree, MRD, V&V Matrices)

fault protection↗

Freestanding Photoresist Film: A Versatile Template for Three-Dimensional Micro- and Nanofabrication

Ultrathin freestanding films with well-defined micro/nanostructures and robust mechanical properties are applied in many engineering applications including microelectronics, optics, filtration and separation, biomedical engineering, and nanotechnology. Although considerable efforts have been made toward the fabrication of freestanding thin films, it is still a significant challenge to develop a simple and reliable process for producing freestanding films with ultrathin thickness, well-regulated micro/nanopatterns, robust mechanical properties, macroscopic coverage area, and multi-layered composite structures. In this work, a significant advancement is reported in this regard. This study shows a new sacrificial-layer-free (SLF) lifting-off process, integrated with conventional micro- and nanolithography, enabling the release of micro- and nanopatterned photoresist (PR) films from the supporting substrate with unprecedented pattern coverage and structure characteristics. The freestanding PR film is resilient, can withstand significant bending and deformation, and is sufficiently flexible to be transferred onto substrates with 3D topography as a conformal soft stencil for further technological processing and applications. Moreover, the SLF lifting-off process provides a simple approach to prepare single-layered and multi-layered freestanding composite films. The results suggest that the novel SLF lifting-off process can significantly extend the capability of 3D micro-/nanofabrication.

36 MATERIALS SCIENCE↗

Energy Efficient Engine: Flight propulsion system final design and analysis

The Energy Efficient Engine (E3) is a NASA program to create fuel saving technology for future transport engines. The Flight Propulsion System (FPS) is the engine designed to achieve E3 goals. Achieving these goals required aerodynamic, mechanical and system technologies advanced beyond that of current production engines. These technologies were successfully demonstrated in component rigs, a core engine and a turbofan ground test engine. The design and benefits of the FPS are presented. All goals for efficiency, environmental considerations, and economic payoff were met. The FPS has, at maximum cruise, 10.67 km (35,000 ft), M0.8, standard day, a 16.9 percent lower installed specific fuel consumption than a CF6-50C. It provides an 8.6 percent reduction in direct operating cost for a short haul domestic transport and a 16.2 percent reduction for an international long distance transport.

Davis, Donald Y.↗

High temperature ceramic thermal insulation material

Flexible and lightweight thermal insulation materials with hierarchical microstructures are ubiquitous in thermal management and protection systems. Ceramic aerogels promise high-temperature thermal insulation but lack mechanical robustness, while the fibrous materials with excellent mechanical elasticity display modest thermal insulation. Here we describe flexible hierarchical superhydrophobic ceramic insulation nanocomposites through the densified architectured hierarchical nanostructures, radiative insulation coating, and interfacial cross-linking among composites. The lightweight flexible ceramic nanocomposites exhibit a density of 0.13 g/cm 3 , high-temperature fire resistance with thermal conductivity of 0.024 W/(m·K), and super-hydrophobicity with the water contact angle of 152°. The mechanical robustness and high-temperature thermal insulation of ceramic nanocomposites, together with its soundproof performance, shed light on the low-cost flexible insulation materials manufacturing with scalability for high-temperature thermal insulation applications under high mechanical loading conditions.

36 MATERIALS SCIENCE↗

Fuel Property Effects on Stochastic Preignition Events During Engine Load Transitions

Stochastic preignition (SPI) is an abnormal combustion phenomenon that can cause catastrophic engine damage. There have been several proposed mechanisms of SPI, where a uniform source is still not certain, however, SPI tendencies have been shown to be influenced by engine operating conditions, oil composition, engine age, and fuel chemical and physical properties. Laboratory research and testing for SPI propensity is challenging given the stochastic nature of events, as well as the potential for significant degradation of the engine platform and measuring equipment over time. Thus, SPI specific experiments are generally conducted under either sustained or cyclic patterning of steady-state operating conditions to avoid the influence of transient engine boundary conditions on test parameters of interest (e.g. oil additive package, fuel properties, engine speed/load, etc.). In this work a cyclically varying SPI test sequence involves a 5 min engine warmup period at a low engine load of around 4 bar gross indicated mean effective pressure (IMEPg), followed by a transition to high load (~20 bar IMEPg) at a constant 2000 rev/min engine speed for a total of 25 min. This individual test sequence load schedule is then sequentially repeated 10 times to generate significant statistical data for analysis. This work examines the influence of fuel chemical and physical properties on SPI tendency during the unsteady portion of the 10-cycle sequence (the first 5 min of the high load operation in each sequence of the loading cycle) which has been discarded from previous analyses due to the uncertainty in engine operating and thermal boundary conditions. Results from this analysis suggest an increasing trend in the ratio of SPI events during the unsteady test period relative to the steady test period with increasing fuel Reid Vapor Pressure (RVP), implying differences in uncontrolled ignition source terms, possibly from, fuel wall interactions and retention during the load transition phase of the test.

Splitter, Derek [ORNL] (ORCID:0000000174044047)↗

Progress in incompressible Navier-Stokes computations for propulsion flows and its dual-use applications

Development of an incompressible Navier-Stokes solution procedure was performed for the analysis of a liquid rocket engine pump components and for the mechanical heart assist devices. The solution procedure for the propulsion systems is applicable to incompressible Navier-Stokes flows in a steadily rotating frame of reference for any general complex configurations. The computer codes were tested on different complex configurations such as liquid rocket engine inducer and impellers. As a spin-off technology from the turbopump component simulations, the flow analysis for an axial heart pump was conducted. The baseline Left Ventricular Assist Device (LVAD) design was improved by adding an inducer geometry by adapting from the liquid rocket engine pump. The time-accurate mode of the incompressible Navier-Stokes code was validated with flapping foil experiment by using different domain decomposition methods. In the flapping foil experiment, two upstream NACA 0025 foils perform high-frequency synchronized motion and generate unsteady flow conditions for a downstream larger stationary foil. Fairly good agreement was obtained between unsteady experimental data and numerical results from two different moving boundary procedures. Incompressible Navier-Stokes code (INS3D) has been extended for heat transfer applications. The temperature equation was written for both forced and natural convection phenomena. Flow in a square duct case was used for the validation of the code in both natural and forced convection.

Kiris, Cetin↗

N 2 O Formation Mechanism and Suppression Strategy on Pt Catalysts for NO x Removal from Hydrogen-Internal Combustion Engines

Pt-based catalysts exhibit excellent low-temperature activity in the selective catalytic reduction of NO x with H 2 (H 2 -SCR), but their tendency to form N 2 O poses a significant challenge for practical use. This issue is further complicated by unclear formation mechanisms, hindering the development of more efficient catalysts. This study explored the N 2 O generation mechanisms on Pt catalysts supported by MgO, Al 2 O 3 , SiO 2 , and TiO 2 , aiming to achieve a deep understanding that could advance the Pt catalysts with high NO x conversion and minimized N 2 O emissions. Through systematic kinetics and characterization analyses, the direct influence of the support acidity and reactant dynamics (O 2 and NO) on N 2 O formation was clearly revealed. Notably, the Pt catalysts with strong NO adsorption capacity showed reduced N 2 O generation, highlighting the critical role of NO adsorption sites in the H 2 -SCR process. By incorporation of NO adsorption sites (i.e., MgO, BaO, CeO 2 ) onto Pt/SiO 2 , both the H 2 -SCR efficiency and N 2 selectivity (reduced N 2 O selectivity) were significantly enhanced, effectively reducing the N 2 O emissions through optimized surface NO adsorption. These findings provide a design framework for more selective Pt-based catalysts, advancing H 2 -SCR systems for effective NO x abatement from hydrogen-internal combustion engines, which is a promising carbon-free transportation technology.

36 MATERIALS SCIENCE↗

Mechanical Properties and Real-Time Damage Evaluations of Environmental Barrier Coated SiC/SiC CMCs Subjected to Tensile Loading Under Thermal Gradients

SiC/SiC ceramic matrix composites (CMCs) require new state-of-the art environmental barrier coatings (EBCs) to withstand increased temperature requirements and high velocity combustion corrosive combustion gasses. The present work compares the response of coated and uncoated SiC/SiC CMC substrates subjected to simulated engine environments followed by high temperature mechanical testing to asses retained properties and damage mechanisms. Our focus is to explore the capabilities of electrical resistance (ER) measurements as an NDE technique for testing of retained properties under combined high heat-flux and mechanical loading conditions. Furthermore, Acoustic Emission (AE) measurements and Digital Image Correlation (DIC) were performed to determine material damage onset and accumulation.

Ceramic matrix composites↗

Integrating interface slicing into software engineering processes

Interface slicing is a tool which was developed to facilitate software engineering. As previously presented, it was described in terms of its techniques and mechanisms. The integration of interface slicing into specific software engineering activities is considered by discussing a number of potential applications of interface slicing. The applications discussed specifically address the problems, issues, or concerns raised in a previous project. Because a complete interface slicer is still under development, these applications must be phrased in future tenses. Nonetheless, the interface slicing techniques which were presented can be implemented using current compiler and static analysis technology. Whether implemented as a standalone tool or as a module in an integrated development or reverse engineering environment, they require analysis no more complex than that required for current system development environments. By contrast, conventional slicing is a methodology which, while showing much promise and intuitive appeal, has yet to be fully implemented in a production language environment despite 12 years of development.

Beck, Jon↗