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All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

The AME2016 atomic mass evaluation (I). Evaluation of input data; and adjustment procedures

This paper is the first of two articles (Part I and Part II) that presents the results of the new atomic mass evaluation, Ame2016. It includes complete information on the experimental input data (also including unused and rejected ones), as well as details on the evaluation procedures used to derive the tables of recommended values given in the second part. This article describes the evaluation philosophy and procedures that were implemented in the selection of specific nuclear reaction, decay and mass-spectrometric results. These input values were entered in the least-squares adjustment for determining the best values for the atomic masses and their uncertainties. Details of the calculation and particularities of the Ame are then described. All accepted and rejected data, including outweighted ones, are presented in a tabular format and compared with the adjusted values obtained using the least-squares fit analysis. Differences with the previous Ame2012 evaluation are discussed and specific information is presented for several cases that may be of interest to Ame users. The second Ame2016 article gives a table with the recommended values of atomic masses, as well as tables and graphs of derived quantities, along with the list of references used in both the Ame2016 and the Nubase2016 evaluations (the first paper in this issue). Amdc: http://amdc.impcas.ac.cn/

Ame↗
DOE OSTI2011

ULTRACOATINGS: Enabling Energy and Power Solutions in High Contact Stress Environments through Next-Generation Nanocoatings

This industry-driven project was the result of a successful response by Eaton Corporation to a DOE/ITP Program, Grand Challenge, industry call. It consisted of a one-year effort in which ORNL participated in the area of friction and wear testing. In addition to Eaton Corporation and ORNL (CRADA), the project team included: Ames Laboratory, who developed the underlying concept for titanium- zirconium-boron (TZB) based nanocomposite coatings; Borg-Warner Morse TEC, an automotive engine timing chain manufacturer in Ithaca, New York, with its own proprietary hard coating; and Pratt & Whitney Rocketdyne, Inc., a dry-solids pump manufacturer in San Fernando Valley, California. This report focuses only on the portion of work that was conducted by ORNL, in a CRADA with Eaton Corporation. A comprehensive final report for the entire effort, which ended in September 2010, has been prepared for DOE by the team. The term 'ultracoatings' derives from the ambitious technical target for the new generation of nanocoatings. As applications, Eaton was specifically considering a fuel pump and a gear application in which the product of the contact pressure and slip velocity during operation of mating surfaces, commonly called the 'PV value', was equal to or greater than 70,000 MPa-m/s. This ambitious target challenges the developers of coatings to produce material capable of strong bonding to the substrate, as well as high wear resistance and the ability to maintain sliding friction at low, energy-saving levels. The partners in this effort were responsible for the selection and preparation of such candidate ultracoatings, and ORNL used established tribology testing capabilities to help screen these candidates for performance. This final report summarizes ORNL's portion of the nanocomposite coatings development effort and presents both generated data and the analyses that were used in the course of this effort. Initial contact stress and speed calculations showed that laboratory tests with available geometries, applied forces, and speeds at ORNL could not reach 70,000 MPa-m/s for the project target, so test conditions were modified to enable screening of the new coating compositions under conditions used in a prior nano-coatings development project with Eaton Corporation and Ames Laboratory. Eaton Innovation Center was able to conduct screening tests at higher loads and speeds, thus providing complementary information on coating durability and friction reduction. Those results are presented in the full team's final report which is in preparation at this writing. Tests of two types were performed at ORNL during the course of this work: (1) simulations of timing chain wear and friction under reciprocating conditions, and (2) pin-on-disk screening tests for bearings undergoing unidirectional sliding. The four materials supplied for evaluation in a timing chain link simulation were hardened type 440B stainless steel, nitrided type 440B stainless steel, vanadium carbide (VC)-coated type 52100 bearing steel, and (ZrTi)B-coated type 52100 bearing steel. Reciprocating wear tests revealed that the VC coating was by far the most wear resistant. In friction, the nitrided stainless steel did slightly better than the other materials.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2017

Partnering with NASA: An Overview

Partnerships is an important part of doing business at NASA. NASA partners with external organizations to access capabilities under collaborative agreements; enters into agreements for partner access to NASA capabilities; expand overall landscape of space activity; and spurring innovation. NASA partnerships consist of Reimbursable and Non-Reimbursable Space Act Agreements. Partnerships at Ames aligns with Ames' core competencies, and Partners often office in the NASA Research Park, which is an established regional innovation cluster that facilitates commercialization and services as a technology accelerator via onsite collaborations between NASA and its partners.

Ames↗
NASA NTRS2017

Public-Private Partnerships: NASA as Your Business Partner

Partnerships is an important part of doing business at NASA. NASA partners with external organizations to access capabilities under collaborative agreements; enters into agreements for partner access to NASA capabilities; expand overall landscape of space activity; and spurring innovation. The U.S. national policy on commercial space is to develop a robust and competitive U.S. commercial space sector and to energize competitive domestic industries to participate in global markets. Commercial space must be competitive, while the government has other priorities such as safety, jobs, etc. NASA partnerships consist of Reimbursable and Non-Reimbursable Space Act Agreements. Partnerships at Ames aligns with Ames' core competencies, and Partners often office in the NASA Research Park, which is an established regional innovation cluster that facilitates commercialization and services as a technology accelerator via onsite collaborations between NASA and its partners.

Ames↗
DOE OSTI2011

Plasma Sprayed Pour Tubes and Other Melt Handling Components for Use in Gas Atomization

Ames Laboratory has successfully used plasma sprayed ceramic components made from yttria stabilized zirconia as melt pouring tubes for gas atomization for many years. These tubes have proven to be strong, thermal shock resistant and versatile. Various configurations are possible both internally and externally. Accurate dimensions are achieved internally with a machined fugitive graphite mandrel and externally by diamond grinding. The previous study of the effect of spray parameters on density was extended to determine the effect of the resulting density on the thermal shock characteristics on down-quenching and up-quenching. Encouraging results also prompted investigation of the use of plasma spraying as a method to construct a melt pour exit stopper that is mechanically robust, thermal shock resistant, and not susceptible to attack by reactive melt additions. The Ames Laboratory operates two close-coupled high pressure gas atomizers. These two atomizers are designed to produce fine and coarse spherical metal powders (5{mu} to 500{mu} diameter) of many different metals and alloys. The systems vary in size, but generally the smaller atomizer can produce up to 5 kg of powder whereas the larger can produce up to 25 kg depending on the charge form and density. In order to make powders of such varying compositions, it is necessary to have melt systems capable of heating and containing the liquid charge to the desired superheat temperature prior to pouring through the atomization nozzle. For some metals and alloys this is not a problem; however for some more reactive and/or high melting materials this can pose unique challenges. Figure 1 is a schematic that illustrates the atomization system and its components.

36 MATERIALS SCIENCE↗
DOE OSTI2012

State of the Lab 2012

Ames Laboratory Director Alex King delivers the annual State of the Lab address on Thursday, May 17, 2012, the 65th Anniversary of the founding of The Ames Laboratory. This video contains highlights from the address.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2012

Pat Thiel talks about attending the Nobel Prize Award Ceremony

Pat Thiel, Ames Laboratory senior scientist and Iowa State University Distinguished Professor of Chemistry, was invited to be a guest at the ceremony on December 10th, in Stockholm, Sweden, where Danny Shechtman, Ames Laboratory scientist, received the 2011 Nobel Prize in Chemistry. Following her return to the Lab, Thiel shared some of her recollections of the momentous event.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

CRADA 2022-03 Final Report: Advanced Bearing Materials for Harsh Service Conditions

Develop advanced bearing materials for hydrogen gas turbines and wind turbines. Two candidate materials have been selected based on Ames lab’s recent work on high entropy alloys and shape memory alloys. These materials are designed to exhibit a balance of hardness, strength, toughness, and corrosion resistance. The hydrogen diffusion coefficient in the NiTi based shape memory alloy is two order of magnitude lower than that of the conventional case hardened bearing steel. We plan to atomize these materials into powders, additive manufacture cylindrical bearings, then test these bearing for rolling-contact fatigue, corrosion properties, and hydrogen embrittlement. We are a vertically integrated team comprises of national labs, bearing manufacturers, raw material powders makers, and aircraft gas turbine manufacturer.

Argibay, Nicolas [Ames Laboratory (AMES), Ames, IA↗
DOE OSTI2026

Identifying materials-level sources of performance variation in superconducting transmon qubits

The Superconducting Quantum Materials and Systems Center, a U. S. Department of Energy National Quantum Information Science Research Center, has conducted a comprehensive and coordinated study using superconducting transmon qubit chips with known performance metrics to identify the underlying materials-level sources of device-to-device performance variation. Following qubit coherence measurements, these qubits of varying base superconducting metals and substrates have been examined with various non-destructive and invasive material characterization techniques at Northwestern University, Ames National Laboratory, and Fermilab as part of a blind study. We find trends in variations of the depth of the etched substrate trench, the thickness of the surface oxide, and the geometry of the sidewall, which when combined, lead to correlations with the T1 lifetime across different qubits on the same chip. In addition, we provide a list of features that varied from device to device, for which the impact on performance requires further studies. Finally, we identify two low-temperature characterization techniques that may potentially serve as proxy tools for qubit measurements. These insights provide materials-oriented solutions to not only reduce performance variations across neighboring devices but also to engineer and fabricate devices with optimal geometries to achieve performance metrics beyond the state-of-the-art values.

Murthy, Akshay A. [Fermilab] (ORCID:00000001767768↗
DOE OSTI2025

AL-CRADA-2025-01 Final Report: American-Made Wind Turbine Materials Recycling Prize Accelerate! Phase 2

This report summarizes the Phase 2 achievements of the Wind Turbine Materials Recycling Prize project led by Critical Materials Recycling (CMR) in partnership with Ames National Laboratory. The team demonstrated the technical feasibility and economic viability of recovering and reusing rare-earth Nd-Fe-B magnets from end-of-life (EOL) wind turbine generators. Through mechanical disassembly, demagnetization, and precision processing, magnets were harvested and characterized to assess structural, compositional, and magnetic properties. Results showed that recovered magnets performed on par with commercial-grade counterparts, enabling their integration into actuator and motor prototypes without redesign. System-level modeling and finite-element simulations validated operational performance, while Life Cycle Cost (LCC) analysis revealed up to 20% material cost savings and 2–3% reductions in overall motor system costs. Life Cycle Assessment (LCA) further confirmed substantial environmental benefits, including a ~94% reduction in global warming potential relative to virgin magnet production. The project’s success was enabled by a tightly integrated partnership between industry and national lab experts, illustrating a viable path for domestic magnet-to-magnet recycling. These findings support a scalable, circular solution for rare-earth material recovery, reducing dependence on imported critical minerals and advancing sustainable clean energy technologies.

Lograsso, Thomas [Ames Laboratory (AMES), Ames, IA↗
DOE OSTI2024

Multi-stage load partitioning in additively manufactured Al6061+TiC nanocomposite characterized by in-situ neutron diffraction

Metal matrix composites (MMCs), combining metal matrix and ceramic particles, exhibit high mechanical strength and stiffness compared to conventional metallic materials. During fusion-based additive manufacturing (AM), MMCs undergo a rapid heating and cooling thermal history, which affects the interfacial bonding, thermal misfit stress and mechanical load transfer behavior between the metal matrix and particles, thus impacting the bulk mechanical performance. Here, we investigate the deformation dynamics and phase-specific load transfer in fusion-based AMed Al6061 +TiC MMCs through in-situ neutron diffraction. By calculating the phase-specific lattice strains, a multi-stage load transfer and deformation behavior during uniaxial compression is revealed: (1) elastic deformation in Stage I for both phases; (2) sudden stress rebalance between two phases in Stage II, evidenced by a sudden decrease in Al lattice strain and increase in TiC; (3) active load carrying by both phases in Stage III, with both phases experiencing an increase in lattice strains. Further, the deformation mechanism of each stage is deducted by correlating the evolutions of the interphase stresses and peaks’ broadening and intensity of the Al matrix. The local plastic deformation of the Al matrix near the phase interface is triggered and leads to stress rebalancing in Stage II. The global plastic deformation subsequently propagates throughout the Al matrix in Stage III, and the composite is further hardened through both dislocation multiplication and load transfer. The findings offer valuable insights into deformation and load-sharing behavior in AMed MMCs.

36 MATERIALS SCIENCE↗
DOE OSTI2010

Development of a bioassay to screen for chemicals mimicking the anti-aging effects of calorie restriction

Research highlights: {yields} We identified four sequence motifs lying upstream of putative pro-longevity genes. {yields} One of these motifs binds to HNF-4{alpha}. {yields} HNF-4{alpha}/PGC-1{alpha} could up-regulate the transcription of a reporter gene linked to this motif. {yields} The reporter system described here could be used to screen candidate anti-aging molecules. -- Abstract: Suppression of the growth hormone/insulin-like growth factor-I pathway in Ames dwarf (DF) mice, and caloric restriction (CR) in normal mice extends lifespan and delays the onset of age-related disorders. In combination, these interventions have an additive effect on lifespan in Ames DF mice. Therefore, common signaling pathways regulated by DF and CR could have additive effects on longevity. In this study, we tried to identity the signaling mechanism and develop a system to assess pro-longevity status in cells and mice. We previously identified genes up-regulated in the liver of DF and CR mice by DNA microarray analysis. Motif analysis of the upstream sequences of those genes revealed four major consensus sequence motifs, which have been named dwarfism and calorie restriction-responsive elements (DFCR-REs). One of the synthesized sequences bound to hepatocyte nuclear factor-4{alpha} (HNF-4{alpha}), an important transcription factor involved in liver metabolism. Furthermore, using this sequence information, we developed a highly sensitive bioassay to identify chemicals mimicking the anti-aging effects of CR. When the reporter construct, containing an element upstream of a secreted alkaline phosphatase (SEAP) gene, was co-transfected with HNF-4{alpha} and its regulator peroxisome proliferator-activated receptor (PPAR) {gamma} coactivator-1{alpha} (PGC-1{alpha}), SEAP activity was increased compared with untransfected controls. Moreover, transient transgenic mice established using this construct showed increased SEAP activity in CR mice compared with ad libitum-fed mice. These data suggest that because of its rapidity, ease of use, and specificity, our bioassay will be more useful than the systems currently employed to screen for CR mimetics, which mimic the beneficial effects of CR. Our system will be particularly useful for high-throughput screening of natural and synthetic candidate molecules.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2012

What are the Starting Points? Evaluating Base-Year Assumptions in the Asian Modeling Exercise

A common feature of model inter-comparison efforts is that the base year numbers for important parameters such as population and GDP can differ substantially across models. This paper explores the sources and implications of this variation in Asian countries across the models participating in the Asian Modeling Exercise (AME). Because the models do not all have a common base year, each team was required to provide data for 2005 for comparison purposes. This paper compares the year 2005 information for different models, noting the degree of variation in important parameters, including population, GDP, primary energy, electricity, and CO2 emissions. It then explores the difference in these key parameters across different sources of base-year information. The analysis confirms that the sources provide different values for many key parameters. This variation across data sources and additional reasons why models might provide different base-year numbers, including differences in regional definitions, differences in model base year, and differences in GDP transformation methodologies, are then discussed in the context of the AME scenarios. Finally, the paper explores the implications of base-year variation on long-term model results.

base year data↗
DOE OSTI2019

Nuclear Data Sheets for A=218

The evaluated data are presented for 11 known A=218 nulcides (Pb, Bi, Po, At, Rn, Fr, Ra, Ac, Th, Pa and U). For {sup 218}Pb, {sup 218}Bi, {sup 218}At and {sup 218}Pa, data are available only for the ground states. For {sup 218}U, only the g.s. and a high-spin isomer are known, with no data on γ-ray transitions available. For {sup 218}Po, ten excited states are known from {sup 218}Bi decay, with no knowledge on the multipolarities of gamma-ray transitions. For {sup 218}Th, five excited states in the g.s. band are known from an in-beam γ-ray study. Data on level half-lives, multipolarities and mixing ratios of gamma transitions is generally lacking for A=218 nuclei. The static magnetic dipole moment has been measured for only an isomer in {sup 218}Fr. With the exception of a new nuclide, {sup 218}Pb, and measurements of half-lives of ground states of a few nuclides of A=218 and A=222, no substantial structure information has become available since the previous evaluation in 2006. Q values are adopted from 2017Wa10 (AME-2016). The present evaluation supersedes the previous A=218 ENSDF evaluations, 2006Ja03, 1995El08, 1987El12 and 1977To13. This evaluation was carried out as part of a joint IAEA-ICTP workshop for Nuclear Structure and Decay Data, organized and hosted by the IAEA, Vienna, and ICTP, Trieste, October 15–26, 2018.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Automatic fitting of multiple-field solid-state NMR spectra

The NMR lineshapes produced by half-integer quadrupolar nuclei are sensitive to 11 distinct fit parameters per inequivalent site. To date, automatic fitting routines have failed to replace manual parameter insertion and evaluation due to the importance of local minima and the need for fitting multiple-field magic-angle spinning (MAS) and static spectra simultaneously. Herein we introduce a new tool, AMES-Fit (Automatic Multiple Experiment Simulation and Fitting), to automatically find the global best-fit simulation parameters for a series of multiple-field NMR lineshapes. AMES-Fit uses an adaptive step size random search algorithm to dynamically probe parameter space and requires minimal human input. Importantly, the best fits are obtained in a few minutes of computation time that would otherwise have required several person-hours of work. The program is freely available and open-source.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Characterization and validation of an in silico toxicology model to predict the mutagenic potential of drug impurities*

Control and minimization of human exposure to potential genotoxic impurities found in drug substances and products is an important part of preclinical safety assessments of new drug products. The FDA's 2008 draft guidance on genotoxic and carcinogenic impurities in drug substances and products allows use of computational quantitative structure–activity relationships (QSAR) to identify structural alerts for known and expected impurities present at levels below qualified thresholds. This study provides the information necessary to establish the practical use of a new in silico toxicology model for predicting Salmonella t. mutagenicity (Ames assay outcome) of drug impurities and other chemicals. We describe the model's chemical content and toxicity fingerprint in terms of compound space, molecular and structural toxicophores, and have rigorously tested its predictive power using both cross-validation and external validation experiments, as well as case studies. Consistent with desired regulatory use, the model performs with high sensitivity (81%) and high negative predictivity (81%) based on external validation with 2368 compounds foreign to the model and having known mutagenicity. A database of drug impurities was created from proprietary FDA submissions and the public literature which found significant overlap between the structural features of drug impurities and training set chemicals in the QSAR model. Overall, the model's predictive performance was found to be acceptable for screening drug impurities for Salmonella mutagenicity. -- Highlights: ► We characterize a new in silico model to predict mutagenicity of drug impurities. ► The model predicts Salmonella mutagenicity and will be useful for safety assessment. ► We examine toxicity fingerprints and toxicophores of this Ames assay model. ► We compare these attributes to those found in drug impurities known to FDA/CDER. ► We validate the model and find it has a desired predictive performance.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2013

Genotoxicity of 2-bromo-3′-chloropropiophenone

Impurities are present in any drug substance or drug product. They can be process-related impurities that are not completely removed during purification or are formed due to the degradation of the drug substance over the product shelf-life. Unlike the drug substance, impurities generally do not have beneficial effects and may present a risk without associated benefit. Therefore, their amount should be minimized. 2-Bromo-3′-chloropropiophenone (BCP) is an impurity of bupropion, a second-generation antidepressant and a smoking cessation aid. The United States Pharmacopeia recommends an acceptable level for BCP that is not more than 0.1% of the bupropion. Because exposure to genotoxic impurities even at low levels is of significant concern, it is important to determine whether or not BCP is genotoxic. Therefore, in this study the Ames test and the in vitro micronucleus assay were conducted to evaluate the genotoxicity of BCP. BCP was mutagenic with S9 metabolic activation, increasing the mutant frequencies in a concentration-dependent manner, up to 22- and 145-fold induction over the controls in Salmonella strains TA100 and TA1535, respectively. BCP was also positive in the in vitro micronucleus assay, resulting in up to 3.3- and 5.1-fold increase of micronucleus frequency for treatments in the absence and presence of S9, respectively; and 9.9- and 7.4-fold increase of aneuploidies without and with S9, respectively. The addition of N-acetyl-L-cysteine, an antioxidant, reduced the genotoxicity of BCP in both assays. Further studies showed that BCP treatment resulted in induction of reactive oxygen species (ROS) in the TK6 cells. The results suggest that BCP is mutagenic, clastogenic, and aneugenic, and that these activities are mediated via generation of reactive metabolites. - Highlights: • 2-Bromo-3′-chloropropiophenone is an impurity of bupropion. • BCP was positive in both the Ames test and the in vitro micronucleus assay. • It induced high frequencies of mutations, micronuclei and hypodiploids. • It induced ROS and addition of NAC blocked the genotoxicity of BCP. • Its genotoxic action is possibly mediated via generation of reactive metabolites.

60 APPLIED LIFE SCIENCES↗