Search NASA⌕ Search

SEARCH · Search NASA

Results for “Defects”

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.

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

At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Aneuploidy induces premature aging in yeast due to defects in Ribosome Quality Control [MoBYSeqData]

Premature aging is a hallmark of Down syndrome, caused by trisomy of human chromosome 21; but the reason is unclear and difficult to study in humans. We used an aneuploid model in wild yeast to show that chromosome amplification disrupts nutrient-induced cell-cycle arrest, quiescence entry, and healthy aging, across genetic backgrounds and amplified chromosomes. We discovered that these defects are due in part to aneuploidy-induced dysfunction in Ribosome Quality Control (RQC). Aneuploids entering quiescence display aberrant ribosome profiles, accumulate RQC intermediates, and harbor an increased load of protein aggregates. Although they have normal proteasome capacity, aneuploids show signs of ubiquitin dysregulation, which impacts cyclin abundance to disrupt arrest. Remarkably, inducing ribosome stalling in euploids produces similar aberrations, while up-regulating limiting RQC subunits or proteins in ubiquitin metabolism alleviates many of the aneuploid defects. Our results raise major implications for other aneuploidy disorders including Down syndrome.

aneuploidy↗
DOE OSTI2024

Premature aging in aneuploid yeast is influenced by aneuploidy-induced defects in Ribosome Quality Control [RiboSeq]

Premature aging is a hallmark of Down syndrome, caused by trisomy of human chromosome 21; but the reason is unclear and difficult to study in humans. We used an aneuploid model in wild yeast to show that chromosome amplification disrupts nutrient-induced cell-cycle arrest, quiescence entry, and healthy aging, across genetic backgrounds and amplified chromosomes. We discovered that these defects are due in part to aneuploidy-induced dysfunction in Ribosome Quality Control (RQC). Aneuploids entering quiescence display aberrant ribosome profiles, accumulate RQC intermediates, and harbor an increased load of protein aggregates. Although they have normal proteasome capacity, aneuploids show signs of ubiquitin dysregulation, which impacts cyclin abundance to disrupt arrest. Remarkably, inducing ribosome stalling in euploids produces similar aberrations, while up-regulating limiting RQC subunits or proteins in ubiquitin metabolism alleviates many of the aneuploid defects. Our results raise major implications for other aneuploidy disorders including Down syndrome.

aneuploidy↗
DOE OSTI2024

Root Cause Correlation Analysis of Software Failures via Orthogonal Defect Classification and Natural Language Processing

Systems theoretic process analysis (STPA) is becoming an increasingly popular technique to assess how complex digital software systems can fail. Rather than defining failures by their observable failure events, which may be sparse especially for safety rated nuclear digital instrumentation and control systems (DI&C), failures are defined as postulated unsafe actions under specific contextual conditions. This permits a top-down analysis of system hazards and identifies whether imposed constraints and requirements can sufficiently address undesirable hazards. However, STPA is a qualitative approach at identifying inadequacies in the development process and cannot currently be used to quantify unsafe action likelihoods for probabilistic risk assessment. Therefore, in this work, we examine the root causes of software failure and explore whether a consistent correlation can be linked to specific unsafe action classes. We implement Lbl2Vec, an unsupervised document classification and retrieval algorithm, on a database of 4,096 software defect reports acquired from various open-source software systems. By analyzing sentence structure, embedded labels, and word vectors, we show that certain defect types positively correlate to specific unsafe action classes over others. The correlations developed can be used to estimate the failure probability of safety intended DI&C systems which provides a licensing basis for nuclear plant modernization efforts.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Root Cause Correlation Analysis of Software Failures via Orthogonal Defect Classification and Natural Language Processing

Systems theoretic process analysis (STPA) is becoming an increasingly popular technique to assess how complex digital software systems can fail. Rather than defining failures by their observable failure events, which may be sparse especially for safety rated nuclear digital instrumentation and control systems (DI&C), failures are defined as postulated unsafe actions under specific contextual conditions. This permits a top-down analysis of system hazards and identifies whether imposed constraints and requirements can sufficiently address undesirable hazards. However, STPA is a qualitative approach at identifying inadequacies in the development process and cannot currently be used to quantify unsafe action likelihoods for probabilistic risk assessment. Therefore, in this work, we examine the root causes of software failure and explore whether a consistent correlation can be linked to specific unsafe action classes. We implement Lbl2Vec, an unsupervised document classification and retrieval algorithm, on a database of 4,096 software defect reports acquired from various open-source software systems. By analyzing sentence structure, embedded labels, and word vectors, we show that certain defect types positively correlate to specific unsafe action classes over others. The correlations developed can be used to estimate the failure probability of safety intended DI&C systems which provides a licensing basis for nuclear plant modernization efforts.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Thermoreflectance Detection of Point Defects Resulting from Focused Ion Beam Milling

Focused ion beam (FIB) milling is a commonly used tool for nanoscale material processing, such as for transmission electron microscopy (TEM) sample preparation, or the creation of fiducial markers prior to other processes and measurements. During milling, a high energy ion beam is used to remove material via sputtering. The expelled target material may return to the sample surface however, affecting subsequent measurements. Beam spreading or irradiation due to neutral gallium may also irradiate a larger area than intended. Extensive research has explored the effects of FIB milling on the prepared TEM sample, but few have looked at the effects of milling on the properties of the sample surrounding the milled region. We use multiple pump-probe laser-based techniques (time domain thermoreflectance and steady-state thermoreflectance) to measure the spatial extent of FIB-induced surface/subsurface changes on a series of silicon wafers milled at multiple currents and doses. We supplement these measurements with high-resolution scanning transmission electron microscopy, energy dispersive X-ray spectroscopy, stylus profilometry, and time-of-flight secondary ion mass spectroscopy. We find a sample surface affected by the FIB up to 1 mm from where milling occurred, with a notable dependence on the ion beam current. We also note remarkably high sensitivity to surface defects using the thermoreflectance metrologies, including detection where other measurements failed.

defects↗
DOE OSTI2024

Effect of impurities on hydrogen defect stability and migration barrier in yttrium dihydride crystal

The impurity or alloying atoms in YH 2 can alter the local electronic structure and so the hydrogen defect stability, as well as the H migration barrier energy. Thus, DFT calculations were employed to determine the effect of foreign elements from alkali and alkaline earth metals to transition metals and one critical impurity element, O, on H vacancy stability and retention characteristics in YH2. Results revealed that alloying elements act as hydrogen vacancy sinks by reducing the vacancy formation energy at neighboring sites. The implantation of non-magnetic foreign elements (s1, s2, and d10 valence electrons) in hydrogen energy landscape was calculated to be minor; while the hydrogen vacancy formation energy was reduced from 1.37 eV to 1.00 eV, the migration energy barrier of hydrogen was increased from 0.87 eV to 1.15 eV for non-magnetic foreign elements. The migration energy barrier monotonically decreased with increasing d-shell occupancy, reaching as low as 0.4 eV for Cr, Mo(d4), and Fe (d4). Alloying with late transition metals (d8 and d9) moderately impacted the hydrogen vacancy formation. Finally, it was found to be O addition into the YH 2- lattice did not alter the energy landscape of hydrogen vacancies. Since alloyed YH 2 has not been studied extensively, this study provides an atomistic understanding how alloying elements and impurities trap vacancies and affects hydrogen mobility YH 2 . Meanwhile, the main findings of this study may serve as guidelines for introducing alloying elements in ZrH 2 as well.

08 HYDROGEN↗
DOE OSTI2024

Nanoscale Control of Intrinsic Magnetic Topological Insulator MnBi 2 Te 4 Using Molecular Beam Epitaxy: Implications for Defect Control

Intrinsic magnetic topological insulators have emerged as a promising platform to study the interplay between the topological surface states and ferromagnetism. This unique interplay can give rise to a variety of exotic quantum phenomena, including the quantum anomalous Hall effect and axion insulating states. Here, in this study, utilizing molecular beam epitaxy (MBE), we present a comprehensive study of the growth of MnBi 2 Te 4 thin films on Si (111), epitaxial graphene, and highly ordered pyrolytic graphite substrates. By combining a suite of in situ characterization techniques, we obtain critical insights into the nanoscale control of MnBi 2 Te 4 epitaxial growth. First, we extract the free energy landscape for the epitaxial relationship as a function of the in-plane angular distribution. Then, by employing an optimized layer-by-layer growth, we determine the chemical potential and Dirac point of the thin film at different thicknesses and how this quantity is manifested by the dopant compensation from different antisite defects. Overall, these results establish a foundation for understanding the growth kinetics of MnBi 2 Te 4 and pave the way for future applications of MBE-grown thin films in emerging topological quantum materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Defect-Mediated Diffusion Pathways in Spodumene Accelerate Lithium Transport

Lithium extraction from naturally occurring α-spodumene is hindered by poor lithium diffusivity, necessitating high-temperature phase transformation to a low-density β polymorph. Although β spodumene exhibits up to 5 orders of magnitude higher lithium-ion diffusivity, both phases have diffusion activation energies between 0.8 and 1 eV, indicating that polymorph density is not the controlling factor over diffusivity. We show that aluminum vacancies facilitate lithium-ion diffusion in α-spodumene by reducing the migration barrier from 2.4 to 0.9 eV. Bond valence site energy and nudged elastic band calculations show a new lithium local minimum site which promotes a one-dimensional percolation network by reducing the lithium intersite distance from 4.5 Å to 2.9 Å. However, aluminum vacancies are energetically unfavorable to percolate through the whole structure, resulting in very low net lithium diffusivity and highlighting the critical role of nonstoichiometric defects in facilitating lithium transport in rigid aluminosilicate structures.

Chemical structure↗
DOE OSTI2026

Landau–Zener Transition Enhanced Quantum Sensing in Spin Defects of Hexagonal Boron Nitride

Negatively charged boron vacancies (V $^{–}_{B}$ ) in hexagonal boron nitride (hBN) comprise a promising quantum sensing platform, optically addressable at room temperature and transferable onto samples. However, broad hyperfine-split spin transitions of the ensemble pose challenges for quantum sensing with conventional resonant excitation due to limited spectral coverage. While V $^{–}_{B}$ in isotopically enriched hBN using 10 B and 15 N isotopes (h 10 B 15 N) exhibits sharper spectral features, significant inhomogeneous broadening persists. We show that, implemented via frequency modulation on an FPGA, a frequency-ramped microwave pulse achieves around 4-fold greater |0⟩→|−1⟩ spin-state population transfer and thus contrast than resonant microwave excitation and thus 16-fold shorter measurement time for spin relaxation-based quantum sensing. Quantum dynamics simulations reveal that an effective two-state Landau–Zener model captures the complex relationship between population inversion and pulse length with relaxations incorporated. Our approach is robust and valuable for quantum relaxometry with spin defects in hBN, especially in noisy environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Dynamics of carrier injection through V-defects in long wavelength GaN LEDs

The efficiency of high-power operation of multiple quantum well (QW) light emitting diodes (LEDs) to a large degree depends on the realization of uniform hole distribution between the QWs. In long wavelength InGaN/GaN QW LEDs, the thermionic interwell hole transport is hindered by high GaN barriers. However, in polar LED structures, these barriers may be circumvented by the lateral hole injection via semipolar {$10\bar{1}1$} QWs that form on the facets of V-defects. The efficiency of such carrier transfer depends on the transport time since transport in the semipolar QWs is competed by recombination. In this work, we study the carrier transfer from the semipolar to polar QWs by time-resolved photoluminescence in long wavelength (green to red) LEDs. We find that the carrier transfer through the semipolar QWs is fast, a few tens of picoseconds with the estimated room temperature ambipolar diffusion coefficient of ∼5.5 cm 2 /s. With diffusion much faster than recombination, the hole transport from the p-side of the structure to the polar QWs should proceed without a substantial loss, contributing to the high efficiency of long wavelength GaN LEDs.

Crystallographic defects↗
DOE OSTI2025

Defect levels and self-compensation in iodine-doped CdTe single crystals

This study systematically documents defect levels in n-type iodine-doped cadmium telluride (CdTe:I) crystals as measured by thermoelectric effect spectroscopy, Hall-effect measurements, and photoluminescence and calculated by density functional theory. The primary donor, I Te , was identified with an activation energy of ∼0.05 eV (measured)/∼0.13 eV (calculated). Deep acceptor states, V Cd and I Te –V Cd complex, exhibited activation energies of ∼0.1 eV (measured)/∼0.19 eV (calculated) and ∼0.12 eV (measured)/∼0.24 eV (calculated), respectively. Self-compensation and Fermi level pinning were observed at ∼0.7 eV (measured)/∼1.08 eV (calculated), contributing to high resistivity in as-grown samples. Post-growth Cd annealing effectively removes compensation centers, releases iodine donors, and significantly reduces resistivity, resulting in an ideal n-type solar cell material.

Cd annealing↗
DOE OSTI2025

Topological Defect Mediated Helical Phase Reorientation by Uniaxial Stress

Strain engineering enables precise, energy-efficient control of nanoscale magnetism. However, unlike well-studied strain-dislocation interactions in mechanical deformation, the spatial evolution of strain-induced spin rearrangement remains poorly understood. Using Lorentz transmission electron microscopy, we manipulate and observe helical domain reorientation under quantitatively applied uniaxial tensile stress. Our findings reveal striking similarity to plastic deformation in metals, where the critical stress for propagation vector ( Q ) reorientation depends on its angle with the stress direction. Magnetic defects mediate reorientation via “break-and-reconnect” or “dislocation gliding–annihilation” processes. Simulations confirm that strain-induced anisotropic Dzyaloshinskii-Moriya interaction may play a key role. These insights advance strain-driven magnetism and offer a promising route for energy-efficient magnetic nanophase control in next-generation information technology. Published by the American Physical Society 2025

36 MATERIALS SCIENCE↗
DOE OSTI2025

Ta–Zr carbides: Synthesis advances via carbothermal reduction and defect evolution observed through transmission electron microscopy ion irradiation

The thermodynamic stability of six distinct compositions within the Zr—Ta—C ternary system is investigated in this study, marking the first report of their synthesis through carbothermic reduction in vacuum. A prolonged annealing process at 2200°C enabled high densification and phase equilibrium. Detailed phase identification and microstructural characterization through microscopy and X-ray diffraction techniques revealed clear compositional trends and stable phase formations. Two compositions ((Ta 0.2 Zr 0.8 )C 0.6 and (Ta 0.5 Zr 0.5 )C 1 ) were selected for ion irradiation experiments using 200 keV Kr + at 600°C—representing the first-ever irradiation study on the Zr—Ta—C system. The findings indicated defect accumulation and nanoscale cavity formation without any evidence of amorphization, highlighting the system's structural stability under irradiation. Together, the synthesis and irradiation results provide a basis for further investigation of the system and suggest its relevance for applications under extreme environments.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Accelerating Discovery of Atomistic Defects via Machine Learning

The quantification of defects such as vacancies in crystalline structures is a cornerstone of materials science research. Traditional efforts often rely on manual detection, a process that is time-intensive, prone to human error, and challenging to scale. Here we leverage machine learning (ML) methods to identify and quantify vacancies within a crystalline lattice, aiming to expedite detection while improving accuracy. Additionally, we explore the transferability of these ML techniques, identifying characteristics of atomistic imaging data that complicate this task. We show how the integration of ML can drive innovation, providing a powerful tool that will play an increasingly crucial role in the future of materials science.

2D materials↗
DOE OSTI2024

Defect Engineering of Bi 2 SeO 2 Thermoelectrics

Abstract Bi 2 SeO 2 is a promising n ‐type semiconductor to pair with p ‐type BiCuSeO in a thermoelectric (TE) device. The TE figure of merit zT and, therefore, the device efficiency must be optimized by tuning the carrier concentration. However, electron concentrations in self‐doped n ‐type Bi 2 SeO 2 span several orders of magnitude, even in samples with the same nominal compositions. Such unsystematic variations in the electron concentration have a thermodynamic origin related to the variations in native defect concentrations. In this study, first‐principles calculations are used to show that the selenium vacancy, which is the source of n ‐type conductivity in Bi 2 SeO 2 , varies by 1–2 orders of magnitude depending on the thermodynamic conditions. It is predicted that the electron concentration can be enhanced by synthesizing under more Se‐poor conditions and/or at higher solid‐state reaction temperatures ( T SSR ), which promote the formation of selenium vacancies without introducing extrinsic dopants. The computational predictions are validated through solid‐state synthesis of Bi 2 SeO 2 . More than two orders of magnitude increase are observed in the electron concentration simply by adjusting the synthesis conditions. Additionally, a significant effect of grain boundary scattering on the electron mobility in Bi 2 SeO 2 is revealed, which can also be controlled by adjusting T SSR . By simultaneously optimizing the electron concentration and mobility, a zT of ≈0.2 is achieved at 773 K for self‐doped n ‐type Bi 2 SeO 2 . The study highlights the need for careful control of thermodynamic growth conditions and demonstrates TE performance improvement by varying synthesis parameters according to thermodynamic guidelines.

Novitskii, Andrei [MANA, National Institute for Ma↗
DOE OSTI2024

Defect‐Free Nanowelding of Bilayer SnSe Nanoplates

Nanowelding is a bottom‐up technique to create custom‐designed nanostructures and devices beyond the precision of lithographic methods. Here, a new technique is reported based on anisotropic lubricity at the van der Waals interface between monolayer and bilayer SnSe nanoplates and a graphene substrate to achieve precise control of the crystal orientation and the interface during the welding process. As‐grown SnSe monolayer and bilayer nanoplates are commensurate with graphene's armchair direction but lack commensuration along graphene's zigzag direction, resulting in a reduced friction along that direction and a rail‐like, 1D movement that permits joining nanoplates with high precision. This way, molecular beam epitaxially grown SnSe nanoplates of lateral sizes 30–100 nm are manipulated by the tip of a scanning tunneling microscope at room temperature. In situ annealing is applied afterward to weld contacting nanoplates without atomic defects at the interface. This technique can be generalized to any van der Waals interfaces with anisotropic lubricity and is highly promising for the construction of complex quantum devices, such as field effect transistors, quantum interference devices, lateral tunneling junctions, and solid‐state qubits.

2D ferroelectrics↗
DOE OSTI2024

As‐Doped Polycrystalline CdSeTe: Localized Defects, Carrier Mobility and Lifetimes, and Impact on High‐Efficiency Solar Cells

Abstract The efficiency potential for single‐junction photovoltaics (PV) is described by the detailed balance model, which requires the elimination of nonradiative recombination and perfect minority carrier collection. Improvements in GaAs, Si, and perovskite PV follow this model. It might be more complex for CdTe, a leading thin‐film PV technology. While lifetime, passivation, and doping goals for 25% efficient CdTe solar cells are largely reached, voltage is ≈20% below the detailed balance limit. Why is that? In Se‐alloyed CdSe x Te 1‐x (Se is required for >20% efficiency) additional losses can occur due to electrostatic and bandgap fluctuations and due to electronic trap states. To understand mechanisms limiting CdSeTe solar cell performance and to suggest improvements, carrier dynamics, and transport in CdSe x Te 1‐x with variation in Se composition and as doping is analyzed. It is shown that trapping, likely due to anion‐site defects and their complexes, is correlated with low charge carrier mobility of 0.1–0.6 cm 2 (Vs) −1 . Even with 1000 ns charge carrier lifetimes, carrier diffusion length is less than the absorber thickness, reducing efficiency to ≈23%. Device simulations are used to analyze the performance of CdSe x Te 1‐x solar cells; thermodynamic models are not sufficient for absorbers with electronic disorder and trapping.

14 SOLAR ENERGY↗
DOE OSTI2025

Entanglement asymmetry and symmetry defects in boundary conformal field theory

A state in a quantum system with a given global symmetry, G, can be sensitive to the presence of boundaries, which may either preserve or break this symmetry. In this work, we investigate how conformal invariant boundary conditions influence the G-symmetry breaking through the lens of the entanglement asymmetry, a quantifier of the “distance” between a symmetry-broken state and its symmetrized counterpart. By leveraging 2D boundary conformal field theory (BCFT), we investigate the symmetry breaking for both finite and compact Lie groups. Beyond the leading order term, we also compute the subleading corrections in the subsystem size, highlighting their dependence on the symmetry group G and the BCFT operator content. We further explore the entanglement asymmetry following a global quantum quench, where a symmetry-broken state evolves under a symmetry-restoring Hamiltonian. In this dynamical setting, we compute the entanglement asymmetry by extending the method of images to a BCFT with non-local objects such as invertible symmetry defects.

Field Theories in Lower Dimensions↗