SEARCH · Search NASA

Results for “Experimental evolution”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 505 records · Page 28

All sources NASA NTRS DOE OSTI

DOE OSTI2023

Interpreting inorganic compositional depth profiles to understand the rate-limiting step in vapor phase infiltration processes

Vapor phase infiltration (VPI) is a post-polymerization modification technique that infuses inorganics into polymers to create organic–inorganic hybrid materials with new properties. Much is yet to be understood about the chemical kinetics underlying the VPI process. The aim of this study is to create a greater understanding of the process kinetics that govern the infiltration of trimethyl aluminum (TMA) and TiCl 4 into PMMA to form inorganic-PMMA hybrid materials. To gain insight, this paper initially examines the predicted results for the spatiotemporal concentrations of inorganics computed from a recently posited reaction–diffusion model for VPI. This model provides insight on how the Damköhler number (reaction versus diffusion rates) and non-Fickian diffusional processes (hindering) that result from the material transforming from a polymer to a hybrid can affect the evolution of inorganic concentration depth profiles with time. Subsequently, experimental XPS depth profiles are collected for TMA and TiCl 4 infiltrated PMMA films at 90 °C and 135 °C. The functional behavior of these depth profiles at varying infiltration times are qualitatively compared to various computed predictions and conclusions are drawn about the mechanisms of each of these processes. TMA infiltration into PMMA appears to transition from a diffusion-limited process at low temperatures (90 °C) to a reaction-limited process at high temperatures (135 °C) for the film thicknesses investigated here (200 nm). While TMA appears to fully infiltrate these 200 nm PMMA films within a few hours, TiCl 4 infiltration into PMMA is considerably slower, with full saturation not occurring even after 2 days of precursor exposure. Infiltration at 90 °C is so slow that no clear conclusions about mechanism can be drawn; however, at 135 °C, the TiCl 4 infiltration into PMMA is clearly a reaction-limited process, with TiCl 4 permeating the entire thickness (at low concentrations) within only a few minutes, but inorganic loading continuously increasing in a uniform manner over a course of 2 days. Near-surface deviations from the uniform-loading expected for a reaction-limited process also suggest that diffusional hindering is high for TiCl 4 infiltration into PMMA. In conclusion, these results demonstrate a new, ex situ analysis approach for investigating the rate-limiting process mechanisms for vapor phase infiltration.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Measuring autoionization decay lifetimes of optically forbidden inner valence excited states in neon atoms with attosecond noncollinear four-wave-mixing spectroscopy

Attosecond noncollinear four-wave-mixing spectroscopy with one attosecond extreme ultraviolet (XUV) pulse and two few-cycle near-infrared (NIR) pulses was used to measure the autoionization decay lifetimes of inner valence electronic excitations in neon atoms. After a 43-48-eV XUV photon excites a 2s electron into the 2s2p 6 (np) Rydberg series, broadband NIR pulses couple the 2s2p 6 3p XUV-bright state to neighboring 2s2p 6 3s and 2s2p 6 3d XUV-dark states. Controllable delays of one or both NIR pulses with respect to the attosecond XUV pulse reveal the temporal evolution of either the dark or bright states, respectively. Experimental lifetimes for the 3s, 3p, and 3d states are measured to be 7±2, 48±8, and 427±40 fs, respectively, with 95% confidence. Accompanying calculations with two independent ab initio theoretical methods, newstock and astra, verify the findings. The results support the expected trend that the autoionization lifetime should be longer for states that have a smaller penetration in the radial region of the 2s core hole, which in this case is for the higher angular momentum Rydberg orbitals. In conclusion, the underlying theory thus links the lifetime results to electron correlation and provides an assessment of the direct and exchange terms in the autoionization process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Magnetic properties of the honeycomb oxide Na 2 Co 2 TeO 6

We have studied the magnetic properties of Na 2 Co 2 TeO 6 , which features a honeycomb lattice of magnetic Co 2 + ions, through macroscopic characterization and neutron diffraction on a powder sample. We also show that this material orders in a zigzag antiferromagnetic structure. Additionally by allowing a linear magnetoelectric coupling, this magnetic arrangement displays very peculiar spatial magnetic correlations, larger in the honeycomb planes than between the planes, which do not evolve with the temperature. We have investigated this behavior by classical Monte Carlo calculations using the J 1 - J 2 - J 3 model on a honeycomb lattice with a small interplane interaction. Furthermore, our model reproduces the experimental neutron structure factor, although its absence of temperature evolution must be due to additional ingredients, such as chemical disorder or quantum fluctuations enhanced by the proximity to a phase boundary.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Shape Changes in the N = 28 Island of Inversion: Collective Structures Built on Configuration-Coexisting States in 43 S

The neutron-rich nuclei in the N = 28 island of inversion have attracted considerable experimental and theoretical attention, providing great insight into the evolution of shell structure and nuclear shape in exotic nuclei. In this study, for the first time, quadrupole collectivity is assessed simultaneously on top of the 3/2 - ground state and the 7/2 - shape-coexisting isomer of 43 S, putting the unique interpretation of shape and configuration coexistence at N = 27 and 28 in the sulfur isotopic chain to the test. From an analysis of the electromagnetic transition strengths and quadrupole moments predicted within the shell model, it is shown that the onset of shape coexistence and the emergence of a simple collective structure appear suddenly in 43 S with no indication of such patterns in the N = 27 isotone 45 Ar.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Number Density Interpretation of Dihadron Fragmentation Functions

We present a new quantum field-theoretic definition of fully unintegrated dihadron fragmentation functions (DiFFs) as well as a generalized version for n -hadron fragmentation functions. We demonstrate that this definition allows certain sum rules to be satisfied, making it consistent with a number density interpretation. Moreover, we show how our corresponding so-called extended DiFFs that enter existing phenomenological studies are number densities and also derive their evolution equations. Within this new framework, DiFFs extracted from experimental measurements will have a clear physical meaning. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

The joys and jitters of high‐temperature calorimetry

Abstract High‐temperature calorimetry (HTC) originated in the 20th century as a niche method to enable measurements not easily accomplished with acid solution calorimetry, combustion calorimetry, vapor pressure, or EMF methods. Over time, HTC has evolved into a versatile approach to accurately quantify formation, phase transition, surface and interfacial enthalpies of a wide range of materials including minerals and refractory inorganic compounds. This evolution has been the result of numerous adjustments to experimental setups and procedures, followed by rigorous testing. The commercial availability and the scientific success of this technique have led to an increase in the number of laboratories applying HTC. However, the knowledge acquired by researchers over the past 70 years is scattered throughout the literature or only available as laboratory internal documentation and personal experience. This publication is a collaborative effort among several leading HTC laboratories to summarize and unify current state‐of‐the‐art HTC techniques and procedures. The text starts by summarizing various HT techniques that are commonly used for readers with an interest in HTC in general. It is then directed toward HTC users and includes a brief section on data evaluation procedures as well as a comprehensive compilation of reference data utilizing molten sodium molybdate and lead borate solvents. Finally, for experienced HTC users, an in‐depth discussion of some common difficulties and a discussion of uncertainties are presented.

Scharrer, Manuel [Navrotsky Eyring Center for Mate↗

DOE OSTI2025

Effects cascade debris and helium bubbles on the strength of aged plutonium

The radioactive decay of aging Pu is dominated by α-decay. This persistent α-decay produces crystalline defects in the form of dislocation loops and helium bubbles that evolve with time. Comparable defects are produced in other metallic alloys when subject to neutron irradiation, and these defects are known to modify the plastic deformation of irradiated materials. Models have been developed for these irradiated materials and validated against experimental confirmations of yield strength and the concomitant microstructural evolution. In this paper, we deploy those previously developed models and apply their mechanics to plutonium aging.

Chemical elements↗

DOE OSTI2018

Accelerator Physics Center at Fermilab : History and Accomplishments (2007-2018)

Fermilab’s Accelerator Physics Center (APC) was created in June 2007 with mission to carry out research and development to keep the US leading high-energy physics laboratory at the forefront of accelerator science, technology and facility operation. In support of the FNAL high-energy physics research mission, APC scientists and enginners conducted accelerator R&D aimed at next-generation and beyond accelerator facilities; provided accelerator physics support for existing operational programs and the evolution thereof; trained accelerator scientists and engineer and established experimental programs for a broad range of accelerator R&D that can be accessed by both Fermilab staff and the US and world HEP community. APC was a center-place for in-depth design, research and development efforts which allowed the Laboratory to make intelligent decisions on the ILC in the US, on the Muon Collider, as well as originate projects like PIP-II (through the Proton Driver/Project-X work), LHC-AUP (via LARP) and the IOTA/FAST R&D facility. APC was also the birthplace and host of many national and international collaborations and several educational/training programs in beam physics resulted in 27 PhD theses. In the Fall 2018, following an important milestone of the first beam circulating in the IOTA ring, the APC was re-organized into several departments in Accelerator Division, charged to carry out the accelerator physics research with IOTA/FAST beams and making it relevant for future upgrades of the Fermilab accelerator complex.

43 PARTICLE ACCELERATORS↗

DOE OSTI2019

Monitoring and Repair of Cement-Geomaterial Interfaces in Borehole and Repository Scenarios

The failure of subsurface seals (i.e., wellbores, shaft and drift seals in a deep geologic nuclear waste repository) has important implications for US Energy Security. The performance of these cementitious seals is controlled by a combination of chemical and mechanical forces, which are coupled processes that occur over multiple length scales. The goal of this work is to improve fundamental understanding of cement-geomaterial interfaces and develop tools and methodologies to characterize and predict performance of subsurface seals. This project utilized a combined experimental and modeling approach to better understand failure at cement-geomaterial interfaces. Cutting-edge experimental methods and characterization methods were used to understand evolution of the material properties during chemo-mechanical alteration of cement-geomaterial interfaces. Software tools were developed to model chemo-mechanical coupling and predict the complex interplay between reactive transport and solid mechanics. Novel, fit-for-purpose materials were developed and tested using fundamental understanding of failure processes at cement-geomaterial interfaces.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

Radiation damage effects in beryllium for next generation neutrino beam targetry (Final Technical Report)

Current and future high-power accelerators put severe requirements on materials used for target and beam windows and target facilities have been recognized as a critical challenge in development of future particle accelerators. In accelerators, window and target materials are exposed to extreme conditions, which include bombardment with very high energy protons (1- 100 GeV) and thermomechanical shock waves. Radiation can cause direct damage in the material, and it leads to production of transmutation products (especially helium), both phenomena having a potential adverse effect on the stability and durability of the target/window material. At high enough temperatures, He can aggregate to form gas bubbles, which in turn cause significant dimensional changes (swelling), enable easy crack propagation, and eventually cause failure by fracture. On the other hand, if the temperature is too low, radiation damage accumulates in the form of internal defects (e.g., dislocations), leading to hardening and a decreased ductility of the material. In this project, we will focus on beryllium since it is considered to be one of the candidate materials for beam windows and targets in the next-generation proton accelerators, e.g., the Long Baseline Neutrino Facility (LBNF). Radiation effects in Be have been studied in the context of nuclear fusion reactor applications. However, key differences exist between reactor and accelerator conditions, including neutron vs. proton irradiation, continuous vs. pulsed beam flux, much higher energies of bombarding particles in accelerators, and higher operating temperatures for typical reactors. For example, the impact of beam pulsing on the radiation damage and the He bubble kinetics is largely unknown. While results obtained on Be from fusion research might not be directly transferrable to understanding target materials, there is an opportunity to bring state-of-the-art tools from materials research in nuclear reactors to aid design of target and beam window materials in high-power accelerators. To this end, the overarching goal of this project are to develop an experimentally-validated computational framework capable of predicting radiation damage evolution in beryllium relevant to beam window and target conditions, focusing on He bubble formation and growth as a function of irradiation temperature. Our model will be based on the cluster dynamics formalism, where size distribution of defects and He bubbles is simulated as a function of time, temperature, and radiation dose. Parameters for the model will be taken from published experiments and from high-fidelity atomistic simulations proposed in this project. In addition, we will carry out a series of targeted ex-situ and in-situ dual-beam experiments using low-energy protons to provide critical data for validation of the model on the effects of radiation on He clustering, He bubble distribution, and dislocation loop density/size in proton irradiated Be.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Heterogeneous oxidation of amorphous organic aerosol surrogates by O 3 , NO 3 , and OH at typical tropospheric temperatures

Typical tropospheric temperatures render possible phase states of amorphous organic aerosol (OA) particles of solid, semisolid, and liquid. This will affect the multiphase oxidation kinetics involving the organic condensed-phase and gaseous oxidants and radicals. To quantify this effect, we determined the reactive uptake coefficients (γ) of O 3 , NO 3 , and OH by substrate films composed of single and binary OA surrogate species under dry conditions for temperatures from 213 to 313 K. A temperature-controlled coated-wall flow reactor coupled to a chemical ionization mass spectrometer was applied to determine γ with consideration of gas diffusion transport limitation and gas flow entrance effects, which can impact heterogeneous reaction kinetics. The phase state of the organic substrates was probed via the poke-flow technique, allowing the estimation of the substrates' glass transition temperatures. γ values for O 3 and OH uptake to a canola oil substrate, NO 3 uptake to a levoglucosan and a levoglucosan / xylitol substrate, and OH uptake to a glucose and glucose / 1,2,6-hexanetriol substrate have been determined as a function of temperature. We observed the greatest changes in γ with temperature for substrates that experienced the largest changes in viscosity as a result of a solid-to-liquid phase transition. Organic substrates that maintain a semisolid or solid phase state and as such a relatively higher viscosity do not display large variations in heterogeneous reactivity. From 213 to 293 K, γ values of O 3 with canola oil, of NO 3 with a levoglucosan / xylitol mixture, and of OH with a glucose / 1,2,6-hexanetriol mixture and canola oil, increase by about a factor of 34, 3, 2, and 5, respectively, due to a solid-to-liquid phase transition of the substrate. These results demonstrate that the surface and bulk lifetime of the OA surrogate species can significantly increase due to the slowed heterogeneous kinetics when OA species are solid or highly viscous in the middle and upper troposphere. This experimental study will further our understanding of the chemical evolution of OA particles with subsequent important consequences for source apportionment, air quality, and climate.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1974

Adsorption and condensation of Cu on W single-crystal surfaces

The adsorption and condensation of Cu up to several monolayers in thickness on tungsten 110 and 100 single-crystal surfaces are studied by combining low-energy electron diffraction, Auger electron spectroscopy, thermal desorption spectroscopy, work-function measurements, and quartz microbalance thickness measurements in one experimental system. The results show drastic differences in the evolution of the structure, work function, and desorption behavior between 110 and 100 surfaces. These differences are understandable in terms of the atomic roughness of the surfaces.

Bauer, E.↗

NASA NTRS1975

The simulated depth history of dust grains in the lunar regolith

Trajectories giving the individual depth variations of lunar dust grains with time are randomly generated by a Monte Carlo code, where the variables are the mass and speed distribution of meteorites at the lunar surface and the geometrical shape of impact craters. A statistical analysis of a great number of such trajectories is then used to define the 'average' depth history of lunar dust grains for two grain radii: 1 and 50 microns. This yields: (1) estimates for time constants involved during the dynamic evolution of the regolith, (2) a model for the layering of the regolith, and (3) a better understanding of the basic dust-grain mechanisms responsible for the formation of the most mature lunar soil samples. The validity of various soil models proposed for the dynamic evolution of the regolith is discussed in terms of experimental constraints on the models.

Duraud, J. P.↗

NASA NTRS1991

A study of hydrogen diffusion flames using PDF turbulence model

The application of probability density function (pdf) turbulence models is addressed. For the purpose of accurate prediction of turbulent combustion, an algorithm that combines a conventional computational fluid dynamic (CFD) flow solver with the Monte Carlo simulation of the pdf evolution equation was developed. The algorithm was validated using experimental data for a heated turbulent plane jet. The study of H2-F2 diffusion flames was carried out using this algorithm. Numerical results compared favorably with experimental data. The computations show that the flame center shifts as the equivalence ratio changes, and that for the same equivalence ratio, similarity solutions for flames exist.

Hsu, Andrew T.↗

NASA NTRS1992

Direct numerical simulations of a reacting turbulent mixing layer by a pseudospectral-spectral element method

An account is given of the implementation of the spectral-element technique for simulating a chemically reacting, spatially developing turbulent mixing layer. Attention is given to experimental and numerical studies that have investigated the development, evolution, and mixing characteristics of shear flows. A mathematical formulation is presented of the physical configuration of the spatially developing reacting mixing layer, in conjunction with a detailed representation of the spectral-element method's application to the numerical simulation of mixing layers. Results from 2D and 3D calculations of chemically reacting mixing layers are given.

Mcmurtry, Patrick A.↗

NASA NTRS2002

Performance Validation Approach for the GTX Air-Breathing Launch Vehicle

The primary objective of the GTX effort is to determine whether or not air-breathing propulsion can enable a launch vehicle to achieve orbit in a single stage. Structural weight, vehicle aerodynamics, and propulsion performance must be accurately known over the entire flight trajectory in order to make a credible assessment. Structural, aerodynamic, and propulsion parameters are strongly interdependent, which necessitates a system approach to design, evaluation, and optimization of a single-stage-to-orbit concept. The GTX reference vehicle serves this purpose, by allowing design, development, and validation of components and subsystems in a system context. The reference vehicle configuration (including propulsion) was carefully chosen so as to provide high potential for structural and volumetric efficiency, and to allow the high specific impulse of air-breathing propulsion cycles to be exploited. Minor evolution of the configuration has occurred as analytical and experimental results have become available. With this development process comes increasing validation of the weight and performance levels used in system performance determination. This paper presents an overview of the GTX reference vehicle and the approach to its performance validation. Subscale test rigs and numerical studies used to develop and validate component performance levels and unit structural weights are outlined. The sensitivity of the equivalent, effective specific impulse to key propulsion component efficiencies is presented. The role of flight demonstration in development and validation is discussed.

Trefny, Charles J.↗

NASA NTRS2002

Performance Validation Approach for the GTX Air-Breathing Launch Vehicle

Trefny, Charles J.↗

NASA NTRS2002

Life Out of Chaos

Doctinary overlays on the definition of life can effectively be avoided by focusing discussion on microorganisms, their vital processes, and their genetic pedigree. To reach beyond these present and highly advanced forms of life and to inquire about its origin it is necessary to consider the requirements imposed by the environment. These requirements include geophysically and geochemically acceptable conjectures for the generation of source compounds, their concentration from dilute solution, and their selective combination into functional biomolecules. For vital function these macromolecules require programming in the form of specific sequence motifs. This critical programming constitutes the scientifically least understood process in the origin of life. Once this stage has been surpassed the laws of Darwinian evolution can operate in ways that are understood and experimentally demonstrated.

Arrhenius, Gustaf↗