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At least 1,225 records · Page 68

All sources NASA NTRS DOE OSTI

DOE OSTI2022

Machine learning prediction of the mechanical properties of refractory multicomponent alloys based on a dataset of phase and first principles simulation

In this work, a dataset including structural and mechanical properties of refractory multicomponent alloys was developed by fusing computations of phase diagram (CALPHAD) and density functional theory (DFT). The refractory multicomponent alloys, also named refractory complex concentrated alloys (CCAs) which contain 2–5 types of refractory elements were constructed based on Special Quasi-random Structure (SQS). The phase of alloys was predicted using CALPHAD and the mechanical property of alloys with stable and single body-centered cubic (BCC) at high temperature (over 1,500°C) was investigated using DFT-based simulation. As a result, a dataset with 393 refractory alloys and 12 features, including volume, melting temperature, density, energy, elastic constants, mechanical moduli, and hardness, were produced. To test the capability of the dataset on supporting machine learning (ML) study to investigate the property of CCAs, CALPHAD, and DFT calculations were compared with principal components analysis (PCA) technique and rule of mixture (ROM), respectively. It is demonstrated that the CALPHAD and DFT results are more in line with experimental observations for the alloy phase, structural and mechanical properties. Furthermore, the data were utilized to train a verity of ML models to predict the performance of certain CCAs with advanced mechanical properties, highlighting the usefulness of the dataset for ML technique on CCA property prediction.

36 MATERIALS SCIENCE↗

NASA NTRS1979

Hygrothermal damage mechanisms in graphite-epoxy composites

T300/5209 and T300/5208 graphite epoxy laminates were studied experimentally and analytically in order to: (1) determine the coupling between applied stress, internal residual stress, and moisture sorption kinetics; (2) examine the microscopic damage mechanisms due to hygrothermal cycling; (3) evaluate the effect of absorbed moisture and hygrothermal cycling on inplane shear response; (4) determine the permanent loss of interfacial bond strength after moisture absorption and drying; and (5) evaluate the three dimensional stress state in laminates under a combination of hygroscopic, thermal, and mechanical loads. Specimens were conditioned to equilibrium moisture content under steady exposure to 55% or 95% RH at 70 C or 93 C. Some specimens were tested subsequent to moisture conditioning and 100 cycles between -54 C and either 70 C or 93 C.

Crossman, F. W.↗

NASA NTRS1992

Flutter suppression for the Active Flexible Wing - Control system design and experimental validation

The synthesis and experimental validation of a control law for an active flutter suppression system for the Active Flexible Wing wind-tunnel model is presented. The design was accomplished with traditional root locus and Nyquist methods using interactive computer graphics tools and with extensive use of simulation-based analysis. The design approach relied on a fundamental understanding of the flutter mechanism to formulate understanding of the flutter mechanism to formulate a simple control law structure. Experimentally, the flutter suppression controller succeeded in simultaneous suppression of two flutter modes, significantly increasing the flutter dynamic pressure despite errors in the design model. The flutter suppression controller was also successfully operated in combination with a rolling maneuver controller to perform flutter suppression during rapid rolling maneuvers.

Waszak, M. R.↗

DOE OSTI2025

Solvated Ionic Liquid-based Electrolytes: Experimental Characterization, Atomistic Modeling and Applications in Energy Storage

This study aimed on understanding the molecular structure and transport mechanisms of high-concentration lithium electrolytes, with a particular focus on solvate ionic liquids (SILs) based on glyme solvents, for use in next-generation, high-voltage energy storage systems. The hypothesis is that the composition of the solvents in these electrolytes can be designed and adjusted to control cation solvation, enabling charge transport via an ion-hopping mechanism. This mechanism resembles Grotthuss conduction of protons in water and is independent of electrolyte viscosity. The experimental studies employed linear and nonlinear infrared spectroscopy (FTIR and 2D IR), electrochemical measurements, and vibrational probes.

25 ENERGY STORAGE↗

DOE OSTI2020

Electrical Control of Magnetic Phase Transition in a Type-I Multiferroic Double-Metal Trihalide Monolayer

Controlling magnetism of two-dimensional multiferroics by an external electric field provides special opportunities for both fundamental research and future development of low-cost electronic nanodevices. Here, we report a general scheme for realizing a magnetic phase transition in 2D type-I multiferroic systems through the reversal of ferroelectric polarization. First, based on first-principles calculations, we demonstrate that a single-phase 2D multiferroic, namely, ReWCl 6 monolayer, exhibits two different low-symmetric ($C_2$) phases with opposite in-plane electric polarization and different magnetic order. As a result, an antiferromagnetic-to-ferromagnetic phase transition can be realized by reversing the in-plane electric polarization through the application of an external electric field. These findings not only enrich the 2D multiferroic family, but also uncover a unique and general mechanism to control magnetism by electric field, thus stimulating experimental interest.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2014

Chemical Zoning of Feldspars in Lunar Granitoids: Implications for the Origins of Lunar Silicic Magmas

Fine-scale chemical and textural measurements of alkali and plagioclase feldspars in the Apollo granitoids (ex. Fig. 1) can be used to address their petrologic origin(s). Recent findings suggest that these granitoids may hold clues of global importance, rather than of only local significance for small-scale fractionation. Observations of morphological features that resemble silicic domes on the unsampled portion of the Moon suggest that local, sizable net-works of high-silica melt (>65 wt % SiO2) were present during crust-formation. Remote sensing data from these regions suggest high concentrations of Si and heat-producing elements (K, U, and Th). To help under-stand the role of high-silica melts in the chemical differentiation of the Moon, three questions must be answered: (1) when were these magmas generated?, (2) what was the source material?, and (3) were these magmas produced from internal differentiation. or impact melting and crystallization? Here we focus on #3. It is difficult to produce high-silica melts solely by fractional crystallization. Partial melting of preexisting crust may therefore also have been important and pos-sibly the primary mechanism that produced the silicic magmas on the Moon. Experimental studies demonstrate that partial melting of gabbroic rock under mildly hydrated conditions can produce high-silica compositions and it has been suggested by that partial melting by basaltic underplating is the mechanism by which high-silica melts were produced on the Moon. TEM and SIMS analyses, coordinated with isotopic dating and tracer studies, can help test whether the minerals in the Apollo granitoids formed in a plutonic setting or were the result of impact-induced partial melting. We analyzed granitoid clasts from 3 Apollo samples: polymict breccia 12013,141, crystalline-matrix breccia 14303,353, and breccia 15405,78

Mills, R. D↗

DOE OSTI2025

Review of High‐Speed Digital Image Correlation: Advancements and Good Practices

This paper reviews the current state of the art in high‐speed (HS) and ultrahigh‐speed (UHS) digital image correlation (DIC) techniques, emphasizing their critical role in experimental research across various scientific domains. HS and UHS DIC have evolved significantly, driven by advancements in camera systems, image processing algorithms and experimental methodologies. These developments have opened new avenues for capturing and analysing dynamic events with unprecedented temporal and spatial detail, but not without introducing challenges such as optical distortions, motion blur and lighting issues that can affect measurement quality. This review advocates for standardized reporting practices in HS/UHS DIC methodologies to improve reproducibility and reliability across studies, drawing on guidelines from the International Digital Image Correlation Society (iDICs). Through a comprehensive analysis of over 150 articles, this review identifies key advancements in imaging technology and their application in six research domains: material characterization, test development, fracture mechanics, model validation, ballistic and explosive phenomena assessment and measurement uncertainties. Distinctions between two‐dimensional (2D) and stereo‐DIC applications are explored, offering insights into their practical implementation and trade‐offs. Good practices for HS/UHS DIC applications are proposed along with suggestions for future directions for this evolving field, highlighting the indispensable role of technological innovation in expanding the capabilities of optical metrology.

experimental mechanics↗

DOE OSTI2023

Constraints on the Decay of 180⁢𝑚 Ta

180m Ta is a rare nuclear isomer whose decay has never been observed. Its remarkably long lifetime surpasses the half-lives of all other known β and electron capture decays due to the large K-spin differences and small energy differences between the isomeric and lower energy states. Detecting its decay presents a significant experimental challenge but could shed light on neutrino-induced nucleosynthesis mechanisms, the nature of dark matter and K-spin violation. For this study, we repurposed the Majorana Demonstrator, an experimental search for the neutrinoless double-beta decay of 76 Ge using an array of high-purity germanium detectors, to search for the decay of 180m Ta. More than 17 kilograms, the largest amount of tantalum metal ever used for such a search was installed within the ultra-low background Majorana Demonstrator detector array. In this paper we present results from the first year of Ta data taking and provide an updated limit for the 180m Ta half-life on the different decay channels. With new limits up to 1.5 × 10 19 years, we improved existing limits by one to two orders of magnitude. Furthermore, this result is the most sensitive search for a single β and electron capture decay ever achieved.

150 ≤ A ≤ 189↗

DOE OSTI2021

Quantitative cross-species translators of cardiac myocyte electrophysiology: Model training, experimental validation, and applications

Animal experimentation is key in the evaluation of cardiac efficacy and safety of novel therapeutic compounds. However, interspecies differences in the mechanisms regulating excitation-contraction coupling can limit the translation of experimental findings from animal models to human physiology and undermine the assessment of drugs’ efficacy and safety. Here, we built a suite of translators for quantitatively mapping electrophysiological responses in ventricular myocytes across species. We trained these statistical operators using a broad dataset obtained by simulating populations of our biophysically detailed computational models of action potential and Ca 2+ transient in mouse, rabbit, and human. We then tested our translators against experimental data describing the response to stimuli, such as ion channel block, change in beating rate, and β-adrenergic challenge. We demonstrate that this approach is well suited to predicting the effects of perturbations across different species or experimental conditions and suggest its integration into mechanistic studies and drug development pipelines.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1999

Preliminary Results from a Laboratory Study of Charging Mechanisms in a Dusty Plasma

A laboratory investigation has been developed to experimentally study the interaction of micron sized particles with plasmas and electromagnetic radiation. The intent is to investigate under what conditions particles of various compositions and sizes become charged, or discharged, while exposed to an electron beam and ultraviolet radiation. Primary emphasis is on two charging mechanisms: secondary emission of electrons and the photoelectric effect. Preliminary results are presented.

Venturini, Catherine C.↗

DOE OSTI2023

Experimental and numerical study of the shielding effect of two tandem rough cylinders in flow-induce oscillation

The shielding effect of the downstream cylinder in flow induced oscillation (FIO) of two cylinders arranged in tandem is studied experimentally and numerically at Reynolds number 30,000 to 120,000. Both cylinders are in one degree-of-freedom, transverse-oscillations, and have turbulence stimulation in the form of selective surface roughness to expand FIO beyond vortex-induced vibration (VIV) into galloping. Shielding of the downstream cylinder has a negative effect on harnessing hydrokinetic energy. Further, to study its effect and mechanics, selective cases are studied both numerically and experimentally and discussed to demonstrate the shielding effect on the downstream cylinder and understand its cause. The main conclusions are: (1) The shielding effect for the downstream cylinder shows a strong relation to the damping ratio. As the damping ratio increases, the shielding effect is mitigated. Additionally, the oscillation of the rear cylinder becomes stable and shows stable frequency. (2) In the VIV region, as the stiffness and natural frequency increase, the shielding effect decreases substantially. (3) In the VIV region, the vorticity of the vortices shedding from both the upper and the lower sides of the downstream cylinder does not accumulate enough due to the attraction by the vortices shed from the upstream cylinder, thus resulting in partial suppression of the oscillation on the downstream cylinder. (4) In the galloping region, the shielding effect for the downstream cylinder depends on whether the vorticity near the downstream cylinder is strengthened by the vortices generated by the shear layers of the upstream cylinder or weakened.

42 ENGINEERING↗

NASA NTRS1991

Mechanisms of ilmenite reduction and their impact on the design of effective reactor systems

One of the first activities at a lunar base could be oxygen recovery from ilmenite (FeTiO3). Oxygen produced from lunar soils could be used to fuel transportation vehicles operating in near-earth space. The first step in developing a suitable reactor system for lunar operation is to determine the mechanisms and rates of oxygen removal from ilmenite. In-situ gravimetric measurements and microscopic examinations were used to determine the hydrogen reduction mechanisms of synthetic ilmenite discs between 823 to 1353 K. A shrinking core reaction model, modified to account for the growth of an iron film on the surface of discs, was capable of predicting experimentally observed conversion-time relationships. The observed reduction mechanism, kinetic rates, and associated activation energy established a base line from which comparisons could be made to improve oxygen yield and removal rates. One proposed technique to improve the rate and extent of oxygen removal was to preoxidize ilmenite. Preoxidation is commonly used during the reduction of ilmenite ores in the iron industry and has been employed for many years to lower operating temperatures and increase reduction rates. This technology could prove beneficial for oxygen production facilities on the Moon as less massive reactor vessels and/or less energy could be associated with a process including preoxidation. X ray diffraction and energy dispersive spectroscopy were utilized to follow the progression of ilmenite oxidation at 1123 and 1140 K and the reduction of pseudobrookite (Fe2TiO5) at 873 and 973 K. Structures formed during the progress of oxidation were related to the system's phase diagrams. Results indicated that after initially producing ilmenite-hematite solutions and rutile (TiO2), pseudobrookite was the end product of oxidation at all temperatures examined (1049 to 1273 K). Initial results from the reduction of pseudobrookite indicate a series of phases are produced including ferropseudobrookite (FeTi2O5), ulvospinel (Fe2TiO4), and ilmenite. Rates of pseudobrookite reduction were typically 50 to 200 times that of ilmenite.

Briggs, R. A.↗

NASA NTRS1996

Mechanics of Granular Materials (MGM)

The constitutive behavior of uncemented granular materials such as strength, stiffness, and localization of deformations are to a large extend derived from interparticle friction transmitted between solid particles and particle groups. Interparticle forces are highly dependent on gravitational body forces. At very low effective confining pressures, the true nature of the Mohr envelope, which defines the Mohr-Coulomb failure criterion for soils, as well as the relative contribution of each of non-frictional components to soil's shear strength cannot be evaluated in terrestrial laboratories. Because of the impossibility of eliminating gravitational body forces on earth, the weight of soil grains develops interparticle compressive stresses which mask true soil constitutive behavior even in the smallest samples of models. Therefore the microgravity environment induced by near-earth orbits of spacecraft provides unique experimental opportunities for testing theories related to the mechanical behavior of terrestrial granular materials. Such materials may include cohesionless soils, industrial powders, crushed coal, etc. This paper will describe the microgravity experiment, 'Mechanics of Granular Materials (MGM)', scheduled to be flown on Space Shuttle-MIR missions. The paper will describe the experiment's hardware, instrumentation, specimen preparation procedures, testing procedures in flight, as well as a brief summary of the post-mission analysis. It is expected that the experimental results will significantly improve the understanding of the behavior of granular materials under very low effective stress levels.

Alshibli, Khalid A.↗

DOE OSTI2022

Vickers hardness prediction from machine learning methods

Abstract The search for new superhard materials is of great interest for extreme industrial applications. However, the theoretical prediction of hardness is still a challenge for the scientific community, given the difficulty of modeling plastic behavior of solids. Different hardness models have been proposed over the years. Still, they are either too complicated to use, inaccurate when extrapolating to a wide variety of solids or require coding knowledge. In this investigation, we built a successful machine learning model that implements Gradient Boosting Regressor (GBR) to predict hardness and uses the mechanical properties of a solid (bulk modulus, shear modulus, Young’s modulus, and Poisson’s ratio) as input variables. The model was trained with an experimental Vickers hardness database of 143 materials, assuring various kinds of compounds. The input properties were calculated from the theoretical elastic tensor. The Materials Project’s database was explored to search for new superhard materials, and our results are in good agreement with the experimental data available. Other alternative models to compute hardness from mechanical properties are also discussed in this work. Our results are available in a free-access easy to use online application to be further used in future studies of new materials at www.hardnesscalculator.com .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Theoretical and Experimental Advances in High-Pressure Behaviors of Nanoparticles

Using compressive mechanical forces, such as pressure, to induce crystallographic phase transitions and mesostructural changes while modulating material properties in nanoparticles (NPs) is a unique way to discover new phase behaviors, create novel nanostructures, and study emerging properties that are difficult to achieve under conventional conditions. In recent decades, NPs of a plethora of chemical compositions, sizes, shapes, surface ligands, and self-assembled mesostructures have been studied under pressure by in-situ scattering and/or spectroscopy techniques. As a result, the fundamental knowledge of pressure–structure–property relationships has been significantly improved, leading to a better understanding of the design guidelines for nanomaterial synthesis. In the present review, we discuss experimental progress in NP high-pressure research conducted primarily over roughly the past four years on semiconductor NPs, metal and metal oxide NPs, and perovskite NPs. We focus on the pressure-induced behaviors of NPs at both the atomic- and mesoscales, inorganic NP property changes upon compression, and the structural and property transitions of perovskite NPs under pressure. We further discuss in depth progress on molecular modeling, including simulations of ligand behavior, phase-change chalcogenides, layered transition metal dichalcogenides, boron nitride, and inorganic and hybrid organic–inorganic perovskites NPs. These models now provide both mechanistic explanations of experimental observations and predictive guidelines for future experimental design. Here, we conclude with a summary and our insights on future directions for exploration of nanomaterial phase transition, coupling, growth, and nanoelectronic and photonic properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Metal Chalcogenides for Neuromorphic Computing: Emerging Materials and Mechanisms

The approaching end of Moore's Law scaling has significantly accelerated multiple fields of research including neuromorphic-, quantum-, and photonic computing, each of which possesses unique benefits unobtained through conventional binary computers. One of the most compelling arguments for neuromorphic computing systems is power consumption, noting that computations made in the human brain are approximately 106 times more efficient than conventional CMOS logic. This review article focuses on the materials science and physical mechanisms found in metal chalcogenides that are currently being explored for use in neuromorphic applications. We begin by reviewing the key biological signal generation and transduction mechanisms within neuronal components of mammalian brains and subsequently compare with observed experimental measurements in chalcogenides. With robustness and energy efficiency in mind, we will focus on short-range mechanisms such as structural phase changes and correlated electron systems that can be driven by low-energy stimuli, such as temperature or electric field. We aim to highlight fundamental materials research and existing gaps that need to be overcome to enable further integration or advancement of metal chalcogenides for neuromorphic systems.

36 MATERIALS SCIENCE↗

NASA NTRS1972

Some important considerations in the development of stress corrosion cracking test methods.

Discussion of some of the precaution needs the development of fracture-mechanics based test methods for studying stress corrosion cracking involves. Following a review of pertinent analytical fracture mechanics considerations and of basic test methods, the implications for test corrosion cracking studies of the time-to-failure determining kinetics of crack growth and life are examined. It is shown that the basic assumption of the linear-elastic fracture mechanics analyses must be clearly recognized and satisfied in experimentation and that the effects of incubation and nonsteady-state crack growth must also be properly taken into account in determining the crack growth kinetics, if valid data are to be obtained from fracture-mechanics based test methods.

Wei, R. P.↗

NASA NTRS1979

Quiet Clean Short-haul Experimental Engine (QCSEE) Under-The-Wing (UTW) engine composite nacelle test report. Volume 1: Summary, aerodynamic and mechanical performance

The performance test results of the final under-the-wing engine configuration are presented. One hundred and six hours of engine operation were completed, including mechanical and performance checkout, baseline acoustic testing with a bellmouth inlet, reverse thrust testing, acoustic technology tests, and limited controls testing. The engine includes a variable pitch fan having advanced composite fan blades and using a ball-spline pitch actuation system.

Source record↗