Search NASA⌕ Search

SEARCH · Search NASA

Results for “ERE”

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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

Analysis of Data in Accordance with Space Flight Mission Environmental Requirements

The Environmental Assurance Program sets forth standards to ensure that all flight hardware is compatible with the environments that will be encountered during a spacecraft mission. It outlines the design, test and analysis, and risk control standards for the mission and certifies that it will survive in any external or self-induced environments that the spacecraft may experience. The Environmental Requirements Document (ERD) is the most important document in the Environmental Assurance Program, providing the design and test requirements for the project's flight system, subsystems, assemblies, and instruments. This summer's project was to assist Environmental Requirements Engineers (ERE's) in completing the Environmental Assurance Program Summary Report for both the Juno Project and Mars Science Laboratory (MSL) Project. The Summary Report is a document summarizing the environmental tests and analyses of each spacecraft at both the assembly and system level. It compiles a source of all relevant information such as waivers and Problem/Failure Reports (PFRs) into a single report for easy reference of how well the spacecraft met the requirements of the project.

Jupiter properties↗
NASA NTRS2016

Cupid's Arrow: An Innovative Nanosat to Sample Venus' Upper Atmosphere

In NASA's Discovery 2014 AO, the opportunity to propose a Technology Demonstration Opportunity (TDO) to enhance the primary mission was specified. For the Venus Emissivity, Radio Science, InSAR, Topography, and Spectroscopy (VERITAS) mission, we elected to include the Cupid's Arrow nanosat TDO to sample and measure the abundances of noble gases and their isotopic ratios in Venus's upper atmosphere below the homopause. This paper will provide a basic overview of the VERITAS mission, with a focus on the Cupid's Arrow concept including a description of the mission, spacecraft design, and JPL's quadrupole ion trap mass spectrometer (QITMS) instrument specifications and design. In previous planetary entry probe mission designs, particularly at Venus, engineers w ere focused on entry and descent. A landed probe was also proposed for the New Frontiers SAGE mission. For Cupid's Arrow, the nanosat is designed to skim through the upper atmosphere, just below the homopause, in order to sample the atmosphere, perform the analysis, and then exit the atmosphere to transmit its data to the orbiting VERITAS spacecraft. Cupid's Arrow is a compelling addition to the VERITAS geology mission. A key missing link in our understanding of Venus' evolution is the noble gas abundances and their isotopic ratios. Not since Pioneer Venus have these measurements been made in the Venus atmosphere and never in the upper atmosphere, just below the homopause, to the degree of accuracy that will be accomplished by VERITAS' Cupid's Arrow nanosat.Such measurements were ranked as the number 1 investigation of the number 1 objective of the goal "Atmospheric Formation, Evolution, and Climate History ".

Discovery↗
NASA NTRS2017

Preliminary Investigation of Impact of Technological Impairment on Trajectory-Based Operations

The Next Generation Air Transportation System (NextGen) incorporates collaborative air traffic management and Trajectory-Based Operations (TBO) in order to significantly increase the capacity, efficiency, and predictability of operations in the National Airspace System (NAS), without decreasing safety. This is enabled by airspace users and service providers sharing knowledge about operations that allows prediction of the complete 4D flight trajectory with as little uncertainty as possible. Additionally, new software and hardware technology is critical to reaching NextGen goals, especially with regard to TBO. What if the technologies that are critical for TBO were to be impaired or fail completely? Should there be a malfunction of a piece of the technology, it must be ensured that the whole system does not break down completely or suffer severe impairment. Instead, operations need to be maintained proportionally to the problem and safety needs to be ensured (graceful degradation). This paper proposes a systematic framework to investigate the vulnerability of TBO to technology disruption, and determine the impact of technological impairment on TBO. Two representative technologies are chosen for detailed investigation and the impact of their impairment on the degradation of TBO is illustrated using a weather-related scenario. XXXX There are several possible directions of future work. We believe it is desirable to develop methods to quantitatively assess the impact of technological disruption on TBO and to have the simulation tools to validate the impact. The availability of prognostics and health management methods could be leveraged to predict technological failure/disruption, thus predicting how TBO will be a ected, and possibly pro-actively mitigating the impact. It is important to develop large-scale scenarios where the e ect of technological impairment is prominent, and identify methods to quantitatively assess the extent of TBO degradation. An important goal of such an investigation is the development of failure-resistant resilient trajectory-based oper- ations. Resilience14, 15 is the property of a system to \bounce back" and resume at least a signi cant portion of its functionalities after degradation due to technological impairment(s). A systems resilience includes properties such as \bu ering capacity" (quantifying disruptions the system can absorb or adapt to without a fundamental breakdown in performance or in the systems structure), \ exibility" (ability to restructure itself in response to external changes or pressures), "margin" (how closely the system is currently operating rela- tive to one or another kind of performance boundary), \tolerance" (whether the system gracefully degrades as stress/pressure increase, or collapses quickly when pressure exceeds adaptive capacity), etc. Future work needs to focus on quantifying and improving the resilience of TBO, and identifying resilient design solutions for aviation.

TBO↗
NASA NTRS2017

Comparison of EKF and UKF for Robotic Missions to Mars

The batched Kalman lter works well for a wide variety of orbit determination scenarios but requires linearized approximations to the underlying dynamical system. Furthermore, implementation depends on the computation of partial derivatives for all measurements and parameters used in the lter, a non-trivial task even when analytical derivations are possible. To address these limitations, many extensions and modi - cations to the linear Kalman lter have been proposed over the years since Kalman's initial publication. Our investigation examines two popular variants of the Kalman lter, namely the Extended Kalman Filter (EKF) and Unscented Kalman Filter (UKF), within the context of spacecraft missions to Mars. The EKF relies on the same mathematical basis as the classic version of the lter, however it sequentially updates the linearization as the ltering process is conducted. In contrast, the UKF is built upon the unscented transform which samples the nearby solution space and numerically propagates perturbed trajectories as part of the update / estimation process. We assess the performance of the ltering algorithms under a variety of mission scenarios with the goal of establishing decision criteria for which implementation to use under di ering circumstances.

Ely, Todd↗
NASA NTRSDate not supplied

Examining Weathering of Magnesite in an Arid Environment: Implications For Jezero Crater

Introduction:Orbiter data indicatethe presence of carbonates in severallocations on the surface of Mars[1],but Jezero crater, landing site of the Perseverancerover,is the only known location where carbonatesap-pear coincident with evidence of fluvialand lacustrineactivity [2].On Earth, carbonates in close proximity to these paleoenvironments mayindicatethe presence of past microbial life,like stromatolites[3], that could re-sult inbiosignatures [2]. However,in other cases,car-bonates can also form throughthe alteration of mafic materialwiththe introductionof carbonic acid[4].Hy-drated magnesites have also been found in evaporative environments along lake shores, and in playas[5,6,7].Correctly interpreting past carbonates on Mars is there-fore critical in the search for past signs of life. In Jezero crater,both thenorthernand western fans haveMg-rich carbonates intermixed with olivine-rich material[8].According to CRISM data, magnesite(MgCO3), along with hydromagnesite(Mg5(CO3)4(OH)2•4H2O), arepotential candidatesfor these Mg-carbonates [2]. Considering the spatial con-text with olivine,there aremultiplepotential explana-tions for the presence ofMg-carbonatesin this locationincludingin-situformation via alterationof olivine-rich materialwith carbonic acid,transportationfrom farther up in the watershed, or precipitation of lacustrine car-bonates[2]. The formation of hydromagnesite rather than magnesite is favored when Mg2+saturated solutions have a high CO32-/HCO3-ratio, which, on Earth, is thought to be caused byinflow of groundwater [4]. Additionally, Mg-carbonates tend to precipitate under high pH condi-tions and are unstable at lower pH conditions [5]. Hy-dromagnesite is stable at atmospheric CO2pressure and temperature conditions common to most Earth surface environments [9]. However, it is subject to transfor-mation to magnesite after dehydration and concomitant brucite formation or dissolution and reprecipitation [10].Previousresearch suggests that hydrated car-bonates, including hydromagnesite, can formas weath-ering productsof mafic minerals in the presenceof H2O and CO2in subfreezing temperatures and would not de-hydrate under Martian atmospheric conditions [11,12].It is critical to understand the formation conditions of Mg-carbonatesbecause of the different implications for the past history of Martian environments. Therefore, in this work we are investigating the weathering of Mg-carbonatesin arid environments to helpbetter understand Mg-carbonates in Jezero crater. Study Area:The Ala-Mar Mines(East and West)near Ely, NVare the site ofmultiple magnesitedepositsfound within a calcareous tuff formationthat overlies Tertiary aged volcanic rocks.Here,magnesiteis formed via the alteration of the calcareous tuff and occurs innodules, veins,and lenses[13]. Previous work suggests magnesite deposits are associated with faults [13]. Within the West Mine, magnesite can be found in two maincontexts: (1) relatively circular zones of cauli-flower-like material found within (2) a more massivelensthat is heavily fractured on the surface.Methods.Samplesof both the cauliflower texture and more massive materialwere collectedat Ala Mar West Mine. Both samples were thenpowdered, sieved and analyzed with an inXitu Terra Portable XRD. The program QualX was used to identify potential mineral phases [14].Both samples were also optically inspected using 10x and 20x hand lenses.Figure 1. XRD patterns for the cauliflower magnesite (top) and massive magnesite (bottom). Ongoing and future work on the samples discussed above includes scanning electron microscopy (SEM), electron microprobe analysis (EMPA), and near-infra-red spectroscopy to determine whether hydromagnesite is present. Separation and analysis of the clay-size frac-tionby XRD will helpto better identify any phyllosili-cate phases present. Results and Discussion:Both textures are a white to light tan with a porcelain luster on weathered sur-faces, along with minor iron staining in some areas. Likewise, both textures are white with a porcelain luster on fresh surfaces. When broken apart, the massive mag-nesite shows macroscopic crystals, unlike the cauli-flower magnesite. XRD analysis shows that both samples have high concentrationsof magnesite with lesser amounts of thecarbonatemineral huntite(Mg3Ca(CO3)4; Figure1).The more massive samplecontainsa serpentine-groupmineral,with lizardite being apotential candidate. The cauliflower sample has several minor peaks that may correspond to hydromagnesite(Figure 1), although more work is needed to confirm this.Additionally, thecauliflower deposits closely resemble hydromagnesite deposits found in southwestern Turkey, formed via mi-crobialites[15].As such, it is likely that moreaqueous alterationor weatheringis occurring at the locations where the cauliflower magnesite is present. However, additional field work will need to be conducted to con-firm this hypothesis. Conclusions and Future Work:Future work will include field mapping of fault locations andadditional samplingof the different magnesite types as well as of the calcareous tuffmaterial.We will also look specifi-cally for potential weathering products of magnesite in this arid location, which may yield important insight into the Mg-carbonates located in Jezero crater. XRD analyses on aPANalytical XRDusing non-ambient stages will be used to investigate the stability of hydro-magnesiteat different humiditiesand temperatures, which has implications for samples to bereturned to Earth in the future. Additionally, thermal and evolved gas analysis of magnesite and hydromagnesite will be compared to results from Gale Craterto help interpret the mineralogy inthat location[16]. The results of this research will further ourunderstanding of carbonate for-mationin volcanic settingsandtheirweathering pro-cessesin arid environments. Acknowledgments:We acknowledge funding for this research from Jacobs Technology at the Johnson Space Center.We would also like to thank Ngoc Luu, Christopher Adcock, Richard Allanson, and the rest of the UNLV Soil Science Teamfor their continued sup-portwith troubleshooting and otherlab work. References:[1] Ehlmann, B.L., and Edwards, C.S. (2014) Annual Review of Earth and Planetary Sci., 42, 291–315. [2] Horgan, B.H.N., et al. (2020) Icarus, 339, 113526. [3] Bosak, T., et al. (2013) Annual Review of Earth and Planetary Sci, 41, 21–44. [4] Pohl, W.L. (1989) Gebriider Borntraege, 28, 1-13. [5] Müller, G., et al. (1972) Die Naturwissenschaften, 59, 158–164. [6] Walter, M.R., et al. (1973) Journal of Sedimentary Pe-trology, 43, 1021–1030. [7] Braithwaite, C.J.R., and Zedef, V. (1994) Sedimentary Geology, 92, 1–5. [8] Goudge, T.A., et al. (2015) JGR: Planets, 120, 775–808. [9] Langmuir, D. (1965) Journal of Geology, 73, 730–754. [10] Zhang, P., et al. (2000) Applied Geo-chem., 286, 1748–1753. [11] Calvin, W.M., et al. (1994) JGR, 99, 14659-14675. [12]Russell, M.J., et al. (1999) Journal of the Geological Society of London, v. 156, p. 869–888. [13] Faust, G.T., and Callaghan, E. (1948) GSA Bulletin, 59, 11–74. [14] Altomare, A., et al. (2015) J. of Applied Crystallography, 48, 598–603. [15] Zedef, V.,et al. (2000) Economic Geology, 95, 429–445. [16] Leshin, L.A. et al., (2013) Science, 341, 1–9

A W Provow↗
NASA NTRSDate not supplied

Thinking Inside the Box: A Hands-On Student Activity for Building a Contamination Containment Glovebox to Encourage Problem Solving in a Collaborative Environment

Contamination containment gloveboxes are sealed containers where operators outside the glovebox can safely manipulate hazardous or contamination-sensitive materials inside the glovebox through glove ports on the container. Containment gloveboxes are used in the space industry to study sample materials returned from space such as lunar, asteroid, and comet materials, to manufacture sensitive instruments and space ight hardware, and to perform contamination-sensitive experiments. A hands-on activity has been developed by contamination control engineer and STEM education experts as part of the Virginia Earth System Science Scholars (VESSS) summer academy program to teach high school students about gloveboxes and about problem solving in a collaborative environment. In this activity, student teams are given a list of common household materials (e.g. plastic bags, plastic straws, aluminum foil, tape, disposable gloves, etc.) for building their own glovebox. Students work together to sketch and design their glovebox before being provided a kit of materials, which they must purchase along with any extra materials with a mock team budget. They are given 30 minutes to build their glovebox, however, they do not know what will be placed inside the glovebox or what operations they will need to perform within the glovebox. At the end of the build time, teams are given a small, sealed paper envelope which they place in the glovebox. Each team selects a team member to be designated as the operator, and the operator places their hands in the gloves of the glovebox. The operator uses their gloves to open the envelope in the glovebox, and they discover they have 20 minutes to assemble a jigsaw puzzle. However, the puzzle is \contaminated" with talcum powder. After the 20 minute time period, teams are judged on how well they completed and cleaned the contaminated puzzle. In a post-activity debrief, teams discuss lessons learned such as how the actual built box di ered from the sketched design, the challenge of managing a budget for materials, how the team dealt with surprises, and if their glovebox allowed enough room for the operator to perform the task. This activity has been part of the VESSS summer academy since 2016, and teaches students teamwork, creativity, hands-on experimentation, communication, and reasoning skills. In a demonstration at IAC, a volunteer from the audience will be chosen to assemble a glovebox during the presentation using the same kit of materials and will demonstrate handling puzzle pieces in the completed glovebox.

Elaine Seasly↗
NASA NTRSDate not supplied

Magnetohydrodynamics (MHD) Aerocapture System for Enabling Faster-Larger Planetary Science & Human Exploration Missions

Since our completing the NIAC Phase I NIAC on this Advanced Aerocapture System, NASA Langley Research Center has funded or supported a number of studies and code enhancements through its Center Innovation Fund (CIF) and NASA’s NSTGRO and Internship Programs to mature the analysis capabilities and quantify the merits of the MHD Aerocapture System technology. These efforts have resulted in a plug and play analysis capability for assessing MHD aerocapture system performance for arrival at many planetary bodies of interest. Our efforts have especially focused on the potential mass savings for improving the capacity for science observations at Neptune and Triton. A re-cent Forbes article published “‘Orbital mechanics is probably going to decide for us whether we go to Uranus or Neptune because we need to flyby Jupiter,’ said Kunio Sayanagi at Hampton University, Virginia, who also worked on the Neptune Odyssey proposal…. Exactly when a mission can be sent to Uranus, or Neptune, depends on the relative position of Jupiter, which can help give a spacecraft a gravitational slingshot. That drastically shortens the cruise phase.” [1] Since shortening the cruise phase is important for these science missions, any mass savings enabled by the MHD Aerocapture System could be reallocated to increasing Thermal Protection System mass to allow faster arrival speeds and/or for onboarding additional payloads such as science instruments, batteries, or propellant for conducting more science for longer durations in the desired orbits. The analysis steps and codes for conducting trades and sizing vehicles for aerocapture are as follows: Step 1 is to conduct aeroheating analysis using LAURA of the selected entry vehicle shape to identify locations on the forebody where ionization and flow velocity are sufficient for producing Lo-rentz forces. LAURA is a multiblock structured grid finite-volume CFD solver developed at the NASA Langley Research Center. [2] LAURA has been used for aerothermal analysis support of the entry, de-scent and landing (EDL) phase of interplanetary missions over the last three decades [3-7]. Step 2 is to port the LAURA results into CFDWARP to calcu-late electrical and thermal conductivities of ionized flow for sizing MHD patch system and calculating Lorentz forces needed for controls analysis. CFDWARP is a CFD code that uses advanced nu-merical methods that enable the simulation of the full coupling between the aerodynamics, the magne-tohydrodynamics, and the non-neutral plasma sheaths. CFDWARP has the unique capability to simulate efficiently the non-neutral sheaths (near the electrodes) in coupled form with the quasi-neutral bulk MHD flow [8-11]. Step 3 is to link re-sults from LAURA and CFDWARP into POST2 for calculating entry trajectories and comparing MHD control results with other aerodynamic control strategies. The Program to Optimize Simulated Tra-jectories II (POST2) is a generalized point mass, discrete parameter targeting and optimization pro-gram. POST2 provides the capability to target and optimize point mass trajectories for multiple pow-ered or un-powered vehicles near an arbitrary rotat-ing, oblate planet [12]. Step 4: TPS sizing was per-formed using the Fully Implicit Ablation and Ther-mal-response code (FIAT) tool which computes the transient one-dimensional thermal response and surface thermochemistry of a multilayer stackup of thermal protection, bonding, and structural materi-als subject to aeroheating on one surface [13]. The sizing and margining methodology used was based on the approach documented by Mahzari and Milos [14] for the dual-layered heatshield for extreme entry environment technology (DL-HEEET) TPS concept. TPS analysis utilizes trajectory information from POST2. Using this step-wise plug and play MHD Aerocapture performance assessment process, our analysis targets a Neptune aerocapture trajectory that will place the spacecraft in an observation orbit for Triton. [15]. Magnetohydrodynamic (MHD) control of a 4.5-meter diameter MSL-style capsule resulted in TPS mass savings of nearly 2000 kg when using an MHD system mass of under 200 kg. The flight path for a vehicle using the MHD control strategy has a much lower heat rate and heat load compared to the conventional aerodynamic aerocapture strategies known as bank angle con-trolled (BAC) and direct force controlled (DFC). Both BAC and DFC have heat rates significantly greater than 1500 W/cm2 typically used as an upper limit for PICA. Thus, DL-HEEET TPS concept was required for the BAC and DFC control strategies. However, considering the more benign environ-ments for the MHD case, additional TPS concepts with improved mass efficiency were also assessed. PICA was considered for the MHD controlled strat-egy since the maximum heat rate was well within the limits (<1500 W/cm2) of PICA. TPS sizing re-sulted in a significant mass reduction. The PICA layer for this sizing case was about 7.8 cm. As a point of reference, the Mars 2020 mission, which used this same PICA concept, had a PICA thickness of 3.18 cm [16]. The trajectories used for the TPS sizing originat-ed from the POST2 simulations. The current, I, to an electromagnet configuration can be manipulated to allow for active control of the vehicle. Manipula-tion of the current, I, changes the magnetic field, B, which affects the Lorentz force and therefore the MHD drag force on the vehicle. Our analysis in-cluded both open-loop and close-loop control. Closed-loop control will enable improved overall performance when taking into account mission level uncertainties, such as interplanetary delivery errors and atmospheric modeling uncertainties. The open-loop and closed-loop MHD control cases do not dip as deep into the atmosphere as the aerodynamic cases. Three types of aerodynamic-only approach-es are investigated: bank angle modulation (BAM), director force control (DFC), and Drag Modulated. BAM and DFC make use of vehicle aerodynamic angles to steer the vehicle. Thus, changing the aer-odynamic forces acting on the vehicle for control, aerodynamic drag modulated case requires a vary-ing drag area to modulate the drag force. The MHD drag modulated case modulates MHD generated drag force that adds to the aerodynamic drag. This higher atmospheric activation of drag forces by the MHD patch results in significantly less heat flux on the vehicle. The MHD technology will enable shorter cruise times and deceleration of larger payloads for increasing the capacity for science at the Ice Giants or for returning astronauts to Earth from cislunar space or from Mars. The purpose of this presentation is to provide more details about this work and to highlight plans for further research and development including a flight demonstration.

R. W. Moses↗
NASA NTRS2023

A Hunting Expedition For High-Order Hierarchies

Stellar hierarchical systems of high order containing more than three stars are rare and fascinating objects; their disco v ery and study highlight still unknown aspects of star formation and early evolution. We matched eclipsing binaries disco v ered by Transiting Exoplanet Surv e y Satellite with a Gaia catalogue of wide binaries and selected candidate quadruple (or higher order) systems based on e xcessiv e astrometric noise. A subset of 192 southern candidates located within 500 pc was observed by speckle interferometry, and we resolved for the first time 50 close pairs, confirming their high-order (from four to five components) multiplicity. These observations are reported, and some remarkable hierarchical systems are discussed.

Brian P Powell↗
NASA NTRS2023

A Synthetic Roman Space Telescope High-Latitude Time-Domain Survey: Supernovae in the Deep Field

NASA will launch the Nancy Grace Roman Space Telescope (hereafter Roman ) in the second half of this decade, which will allow for a generation-defining measurement of dark energy through multiple probes, including Type Ia supernovae (SNe Ia). To impro v e decisions on surv e y strate gy, we hav e created the first simulations of realistic Roman images that include artificial SNe Ia injected as point sources in the images. Our analysis combines work done on Roman simulations for weak gravitational lensing studies as well as catalogue-level simulations of SN Ia samples. We have created a time series of images o v er 2 yr containing ∼1050 SNe Ia, co v ering a 1 deg 2 subarea of a planned 5 deg 2 deep survey. We have released these images publicly for community use along with input catalogues of all injected sources. We create secondary products from these images by generating coadded images and demonstrating reco v ery of transient sources using image subtraction. We perform first-use analyses on these images in order to measure galaxy detection efficiency, point source detection efficiency, and host-galaxy association biases. The simulated images can be found here at https:// roman.ipac.caltech.edu/sims/ SN Survey Image sim.html .

supernovae↗
DOE OSTI2023

MEASUR Up: Identifying opportunities in a facility

The commercial and industrial sectors account for nearly half of the total U.S. energy consumption. To help these sectors reduce their energy intensity, the U.S. Department of Energy (DOE) designed the Better Buildings, Better Plants Initiative. Through this initiative, more than 900 industrial, commercial, public and residential organizations commit to long-term sustainability goals and share their proven energy efficiency strategies, which inspire others to tap into the continued potential for energy efficiency. Collectively, these organizations have saved 2.5 quadrillion BTUs of energy, equivalent to US$15.3 billion, and 155 million metric tons of carbon dioxide. Within the initiative, the Better Plants side of the program focuses specifically on the industrial sector. More than 270 industrial partners have taken advantage of the unique selection of resources offered including workforce development programs, information sharing, peer-to-peer networking, diagnostic tool loans and software tools. One of the most powerful tools off ered is a revitalization of the legacy DOE software tools used by industry for decades. These have been transformed into a new, free, opensource software tool suite: MEASUR (Manufacturing Energy Assessment Software for Utility Reduction)

Armstrong, Kristina↗
DOE OSTI2026

Programmable Phase Selection between Altermagnetic and Noncentrosymmetric Polymorphs of MnTe on InP via Molecular Beam Epitaxy

This dataset contains DFT input and output files supporting the theoretical modeling in the associated publication (ACS Appl. Mater. Interfaces 2026, 18, 15654-15664). The calculations model the interfacial energetics of two MnTe polymorphs — NiAs-MnTe (hexagonal, alpha phase) and ZnS-MnTe (cubic, gamma phase) — on InP(111) substrates with two surface terminations: In-terminated InP(111)A and P-terminated InP(111)B. This gives four interface configurations: NiAs on In-terminated (experimentally observed), NiAs on P-terminated (computed for comparison), ZnS on In-terminated (computed for comparison), and ZnS on P-terminated (experimentally observed). The dataset is organized into four calculation types, each covering all four polymorph/termination combinations: (i) Slabs: Pristine MnTe/InP heterostructure slabs used to compute total energies and interface energy densities (Eint) for all four configurations, as reported in Fig. 6 of the main text. (ii) Disorder: Same slab geometries with a P_Te + Te_P antisite defect pair introduced near the interface, used to assess chemical intermixing effects on interface stability (Fig. S8, SI). (iii) Strain: Pristine slab calculations with in-plane lattice parameters strained by -1% and +1% relative to the InP lattice constant, used to evaluate strain-dependent interface energetics (Fig. S9, SI). (iv) Charge_Density: Single-point calculations on the full heterostructure, the isolated InP slab, and the isolated MnTe slab at fixed geometry, used to compute differential charge density plots showing interfacial charge accumulation and depletion as a function of surface termination (Fig. S10, SI). Each calculation folder contains INCAR, KPOINTS, POSCAR, CONTCAR, OUTCAR, and POTCAR_info.txt (PAW potential information, excluding the full POTCAR due to VASP licensing restrictions). The calculations were performed using VASP 6.4.3 with PBE exchange-correlation, PAW potentials, a Hubbard correction of Ueff = 5 eV on Mn d-states, and A-type AFM spin initialization.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Surface-Driven Evolution of the Anomalous Hall Effect in Magnetic Topological Insulator MnBi 2 Te 4 Thin Films

We report understanding the effects of the interfacial modification to the functional properties of magnetic topological insulator thin films is crucial for developing novel technological applications from spintronics to quantum computing. Here, a large electronic and magnetic response is reported to be induced in the intrinsic magnetic topological insulator MnBi 2 Te 4 by controlling the propagation of surface oxidation. It is shown that the formation of the surface oxide layer is confined to the top 1–2 unit cells but drives large changes in the overall magnetic response. Specifically, a dramatic reversal of the sign of the anomalous Hall effect is observed to be driven by finite thickness magnetism, which indicates that the film splits into distinct magnetic layers each with a unique electronic signature. These data reveal a delicate dependence of the overall magnetic and electronic response of MnBi 2 Te 4 on the stoichiometry of the top layers. This study suggests that perturbations resulting from surface oxidation may play a non-trivial role in the stabilization of the quantum anomalous Hall effect in this system and that understanding targeted modifications to the surface may open new routes for engineering novel topological and magnetic responses in this fascinating material.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Stoichiometry–Induced Ferromagnetism in Altermagnetic Candidate MnTe

The field of spintronics has seen a surge of interest in altermagnetism due to novel predictions and many possible applications. MnTe is a leading altermagnetic candidate that is of significant interest across spintronics due to its layered antiferromagnetic structure, high Neel temperature (T N ≈ 310 K) and semiconducting properties. The results on molecular beam epitaxy (MBE) grown MnTe/InP(111) films are presented. Here, it is found that the electronic and magnetic properties are driven by the natural stoichiometry of MnTe. Electronic transport and in situ angle-resolved photoemission spectroscopy show the films are natively metallic with the Fermi level in the valence band and the band structure is in good agreement with first-principles calculations for altermagnetic spin-splitting. Neutron diffraction confirms that the film is antiferromagnetic with planar anisotropy and polarized neutron reflectometry indicates weak ferromagnetism, which is linked to a slight Mn-richness that is intrinsic to the MBE-grown samples. Further, when combined with the anomalous Hall effect, this work shows that the electronic response is strongly affected by the ferromagnetic moment. Altogether, this highlights potential mechanisms for controlling altermagnetic ordering for diverse spintronic applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Nucleation and Antiphase Twin Control in Bi 2 Se 3 via Step‐Terminated Al 2 O 3 Substrates

The epitaxial synthesis of high-quality 2D layered materials is an essential driver of both fundamental physics studies and technological applications. Bi 2 Se 3 , a prototypical 2D layered topological insulator, is sensitive to defects imparted during the growth, either thermodynamically or due to the film-substrate interaction. Here, in this study, it is shown that step-terminated Al 2 O 3 substrates with a high miscut angle (3°) can effectively suppress a particular hard-to-mitigate defect, the antiphase twin. Systematic investigations across a range of growth temperatures and substrate miscut angles confirm that atomic step edges act as preferential nucleation sites, stabilizing a single twin domain. First-principles calculations suggest that there is a significant energy barrier for twin boundary formation at step edges, supporting the experimental observations. Detailed structural characterization indicates that this twin-selectivity is lost through the mechanism of the 2D layers overgrowing the step edges, leading to higher twin density as the thickness increases. These findings highlight the complex energy landscape unique to 2D materials that is driven by the interplay between substrate properties, nucleation dynamics, and defect formation, and overcoming and controlling these are critical to improve material quality for quantum and electronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Interfacially Enhanced Superconductivity in Fe(Te,Se)/Bi 4 Te 3 Heterostructures

Realizing topological superconductivity by integrating high-transition-temperature (T C ) superconductors with topological insulators can open new paths for quantum computing applications. Here, a new approach is reported for increasing the superconducting transition temperature $T^{onset}_C$ by interfacing the unconventional superconductor Fe(Te,Se) with the topological insulator Bi–Te system in the low-Se doping regime, near where superconductivity vanishes in the bulk. The critical finding is that the $T^{onset}_C$ of Fe(Te,Se) increases from nominally non-superconducting to as high as 12.5 K when Bi 2 Te3 is replaced with the topological phase Bi 4 Te 3 . Interfacing Fe(Te,Se) with Bi4Te3 is also found to be critical for stabilizing superconductivity in monolayer films where $T^{onset}_C$ can be as high as 6 K. Measurements of the electronic and crystalline structure of the Bi 4 Te 3 layer reveal that a large electron transfer, epitaxial strain, and novel chemical reduction processes are critical factors for the enhancement of superconductivity. This novel route for enhancing T C in an important epitaxial system provides new insight on the nature of interfacial superconductivity and a platform to identify and utilize new electronic phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Reversible Modification of Rashba States in Topological Insulators at Room Temperature by Edge Functionalization

Quantum materials with novel spin textures from strong spin-orbit coupling (SOC) are essential components for a wide array of proposed spintronic devices. Topological insulators have a necessary strong SOC that imposes a unique spin texture on topological states and Rashba states that arise on the boundary, but there is no established methodology to control the spin texture reversibly. Here, it is demonstrated that functionalizing Bi 2 Se 3 films by altering the step-edge termination directly changes the strength of SOC and thereby modifies the Rashba strength of 1D edge states. Scanning tunneling microscopy/spectroscopy shows that these Rashba edge states arise and subsequently vanish through the Se functionalization and reduction process of the step edges. The observations are corroborated by density functional theory calculations, which show that a subtle chemical change of edge termination fundamentally alters the underlying electronic structure. Importantly, fully reversible and repeatable switching of Rashba edge states across multiple cycles at room temperature is experimentally demonstrated. The results imply Se functionalization as a practical method to control SOC and spin texture of quantum states in topological insulators.

Rashba edge states↗
DOE OSTI2021

Design and Realization of Ohmic and Schottky Interfaces for Oxide Electronics

Understanding band alignment and charge transfer at complex oxide interfaces is critical to tailoring and utilizing their diverse functionality. Toward this goal, both Ohmic- and Schottky-like charge transfers at oxide/oxide semiconductor/metal interfaces are designed and experimentally validated. A method for predicting band alignment and charge transfer in ABO 3 perovskites is utilized, where previously established rules for simple semiconductors fail. The prototypical systems chosen are the rare class of oxide metals, SrBO 3 with B = V–Ta, when interfaced with the multifaceted semiconducting oxide, SrTiO 3 . For B = Nb and Ta, it is confirmed that a large accumulation of charge occurs in SrTiO 3 due to the higher energy Nb and Ta states relative to Ti. Furthermore, this gives rise to a high mobility metallic interface, which is an ideal epitaxial oxide/oxide Ohmic contact. On the contrary, for B = V, there is no charge transfer into the SrTiO 3 interface, which serves as a highly conductive epitaxial gate metal. Going beyond these specific cases, this work opens the door to integrating the vast phenomena of ABO 3 perovskites into a wide range of practical devices.

36 MATERIALS SCIENCE↗