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FutureTense

Protective vaccines and reliable diagnostics are essential tools for controlling viral diseases. However, the efficacy of these tools can be diminished by mutations in viral genomes. The delay between the emergence of new viral strains and the redesign of vaccines and diagnostics allows for continued viral transmission. Is it possible to address this challenge by computationally predicting viral genome sequence evolution? Can we “future-proof” vaccines and diagnostics by targeting both current and anticipated future sequence variants? While predicting viral evolution is still an unsolved, “grand challenge” problem in biology, the large, and rapidly growing, number of SARS-CoV-2 genome sequences provide an opportunity to quantify the ability of machine learning to predict viral genome sequence evolution. Towards this end, we have developed a simple computational model for predicting viral evolution at the level of individual nucleotides. The key metric for quantifying the per-base, prediction accuracy for viral evolution is the Mann-Whitney U statistic (or, equivalently, the area under the receiver operator curve). Since the Mann-Whitney U statistic is not a differentiable function, existing deep leaning packages (like Pytorch and Keras/TensorFlow) are not useful, as they require that the accuracy metric/objective function be analytically differentiable with respect to the model parameters. To overcome this challenge, we have implemented custom software, “FutureTense”, that can train a machine learning model by maximizing the non-differentiable Mann-Whitney U statistic. This software trains a machine learning model by exploring along the direction of the discrete gradient of the Mann-Whitney U statistic in the model parameter space. Parallel computing and genome sequence-specific optimizations are used to accelerate model training. The resulting machine learning model learns the observed high C->U mutation rates in the SARS-CoV-2 genome (which are potentially induced by host defenses) and provides prediction accuracies that are significantly better than one would expect from random chance. While predicting viral evolution is still quite far from a solved problem, the surprising performance of this simple model gives hope that the accuracy of predicting viral genome evolution can be further increased by more sophisticated approaches.

Gans, Jason↗

Nanostructured Tube Wakefield Accelerator

Unprecedented $\rm TeVm^{-1}$ acceleration gradients are modeled to be realizable using a nonlinear surface crunch-in mode in nanostructured tubes. This mode is realizable using advances in nanofabrication and solid energy density attosecond bunch compression. Three dimensional computational and analytical modeling demonstrates GeV energy gain in sub-millimeter long tubes with effective wall densities $n_{\rm t}\sim10^{22-24}\rm cm^{-3}$ and hundreds of nanometer core radius when driven by submicron near solid electron beams, $n_{\rm b}\sim0.05n_{\rm t}$. Besides the many $\rm TVm^{-1}$ average gradients, strong self-focusing and nanomodulation of the beam which increases its peak density and the wakefield strength also opens up controlled high-energy photon production.

43 PARTICLE ACCELERATORS↗

RF Sources for Electron Accelerators With a focus on high-duty-factor, low-to-moderate energy architectures

A charged particle, such as an electron or a proton, is accelerated through its interaction with either a static (DC) or time-varying (RF) electric field. The magnitude of the accelerating field, or gradient, is typically given in units of volts per meter; in charged-particle accelerators, fields are usually expressed as kV/m or MV/m. The energy of the accelerated particle is usually expressed in terms of electron volts, or eV. An electron starting at rest at ground potential, and accelerated to an electrode with a potential of 1 kV, will have an energy of 1 keV.

43 PARTICLE ACCELERATORS↗

Development of Transformative Preparation Methods to Push up High Q&G Performance of FRIB Spare HWR Cryomodule Cavities

The FRIB accelerator project construction, a top priority of US nuclear science, was completed in January 2022, and is now moving to user operation. The stable and reliable operation of the accelerating cryomodules is essential in achieving/fulfilling DOE and user expectations. So far, FRIB cryomodules meet all FRIB specifications for cavity performance. However, during the lifetime of machine operation, degradation of cryomodule performance is possible, as reported in similar operating facilities (CEBAF, SNS). If cryomodule degradation is observed at FRIB, the under-performing cryomodule will require replacement/maintenance. In effort to manage operational reliability, FRIB plans to construct a 0.53 half-wave cryomodule to serve as an active spare. In a parallel effort, FRIB will also work toward increasing operational Q and gradient of spare cryomodule cavities to gain an overall performance margin to support future operational reliability. The current FRIB cavity designs have a potential to operate at gradients higher than 8 MV/m, but are currently limited by field emission (FE) and/or high field Q slope (HFQS); known issue in buffered chemical polished (BCP) treated cavities. The proposal looks to develop transformative surface preparation treatments to improve the operational gradient of spare cryomodules higher than 10 MV/m while maintaining high Q. Thus, increasing operational margin by 30 - 50%. With the goal to improve operational reliability set, the proposal will investigate multiple objectives as possible paths forward to achieve an overall increase in cavity performance and gain a better understanding of SRF limiting mechanisms. The proposal will study the application of different chemical surface treatments to 0.53 half-wave cavities, with the addition of low temperature bakes (LTB), and measure their effects on accelerating performance. Proposed chemical treatments to be explored in this proposal include conventional EP acid mixtures, as well as innovated EP and BCP acid mixtures designed to simplify processing paths in migrating FE and HFQS. The proposed transformative treatment wet N-doping also has the potential to replicate recent advancements in SRF technology relating to nitrogen doping and high Q operation without the requirement for an ultra-high vacuum annealing furnace; currently being developed at FNAL and JLAB. In parallel, high Q performance relating to flux trapping will be investigated with the installation of a second layer of magnetic shielding in the vertical test Dewar. The research objectives presented in the proposal, and their corresponding effects on cavity performance, will provide essential knowledge and future guidance to the SRF community and provide possible paths for future SRF based projects and applications.

43 PARTICLE ACCELERATORS↗

A high repetition rate millimeter wavelength accelerator for an X-ray free-electron laser

A compact collinear wakefield accelerator has been designed for an X-ray free-electron laser capable of operating at a pulse repetition rate in the tens of kilohertz. The maximum achievable accelerating gradient has been determined, with its limitation linked to beam breakup instability. The fabrication techniques for the principal components of the accelerator including wakefield generation, couplers for excess power extraction and diagnostics, focusing quadrupoles, and a novel undulator have been discussed. Results from various laboratory and beam-based tests on these components have been compared to their original design specifications and demonstrated very good agreement. A preliminary design for the XFEL has been presented, featuring a novel small-period, force-neutral, adjustable-phase undulator.

26 undulator↗

Report on the Integration of Experimental and Modeling Data for Initial Equivalence Study of Mechanical Performance in Irradiated LPBF 316 Stainless Steel

To ensure the rapid development, deployment, and use of advanced nuclear technologies, faster qualification approaches are needed. Typically, the primary pathway uses traditional data packages consistent with the American Society of Mechanical Engineers Boiler and Pressure Vessel Code, which does not consider the environmental effects the material will experience such as corrosion and radiation damage. Examining radiation effects requires a significant amount of space in US facilities at the Advanced Test Reactor and the High Flux Isotope Reactor (HFIR) and suffers from natural gradients in temperature and neutron flux profiles. Ion irradiation may enable rapid assessment of radiation-induced damage to a material and is proposed as part of an accelerated materials qualification framework through the Advanced Materials and Manufacturing Technologies program. To enhance the utility of ion irradiation as an examination tool, this report provides the initial assessment of engineering-relevant properties of microstructures produced from ion irradiation in the near-surface volume. Nanoindentation, Vickers hardness, and known tensile properties were brought together with simple mathematical models and experimental data for an initial equivalence study of the mechanical performance of irradiated laser powder bed fusion (LPBF) 316 stainless steels across length scales. Direct observation of the calculated ion irradiation yield stress and measured neutron irradiation yield stress at 2 dpa showed that both datasets exhibit the same trend with irradiation temperature and overlap within an acceptable band of stress values. Ion irradiations at 10 dpa serve as a prediction of properties to compare to postirradiation examination of HFIR-irradiated LPBF 316H further in the program. This work is a significant demonstration of the Licensing Approach with Ions and Neutrons, which uses ion irradiations to generate mechanical property information more rapidly than through neutron irradiations.

36 MATERIALS SCIENCE↗

US Department of Energy, Office of Science High Performance Computing Facility Operational Assessment 2019 Oak Ridge Leadership Computing Facility

Oak Ridge National Laboratory's (ORNL's) Leadership Computing Facility (OLCF) continues to surpass its operational target goals: supporting users; delivering fast, reliable computational ecosystems; creating innovative solutions for high performance computing (HPC) needs; and managing risks, safety, and security associated with operating some of the most powerful computers in the world. The results can be seen in the cutting-edge science conducted by users and the praise from the research community. Calendar year (CY) 2019 was a big year as OLCF staff ran five world-class resources (the leadershipclass computers Titan and Summit, the large analysis cluster called Eos, and the massive parallel filesystems called Atlas and Alpine)) and also began power and cooling upgrades for a 2021 exascale system called Frontier. While continuing exceptional operation of Titan, Eos, and Rhea, the OLCF released the Summit supercomputer for production on January 1, 2019. Summit debuted as the most capable and efficient system in its class and has been recognized as the most powerful system in the world for its performance on both the high performance linpack (HPL) and conjugate gradient (HPCG) benchmark applications since June 2018 according to TOP500. Summit represents the culmination of a multiyear effort between the OLCF, IBM, NVIDIA, and Mellanox to deliver a system that is unmatched for modeling, simulation, data analysis, and learning. To hit the ground running with science-ready applications on day one, application teams worked closely with the OLCF through the Center for Accelerated Application Readiness (CAAR) program for years in advance of the Summit deployment. CY 2019 was filled with outstanding results and accomplishments: a very high rating from users on overall satisfaction for the sixth year in a row; a tremendous amount of core-hours delivered to researchers from two leadership-class systems; and success in delivering on the allocation split of roughly 60%, 30%, and 10% of core-hours offered for the Innovative and Novel Computational Impact on Theory and Experiment (INCITE), Advanced Scientific Computing Research Leadership Computing Challenge (ALCC), and Director's Discretionary (DD) programs, respectively (see Operational Performance section). These accomplishments, coupled with the high utilization rates (overall and capability usage), represent the fulfillment of the promise of both leadership-class machines: efficient facilitation of leadership-class computational applications. Table ES.1 presents a summary of the 2019 OLCF metric targets and the associated results. More information can be found in the Operational Performance section for each OLCF resource. The scientific accomplishments of OLCF users are a strong indication of long-term operational success, with publications this year in such notable journals and publications as Nature, Nature Physics, Nature Plants, Physical Review X, Journal of the American Physical Society, Cell, Nano Letters, and Trends in Biotechnology. Crucial domain-specific discoveries facilitated by resources at the OLCF are described in the High Performance Computing Facility Operational Assessment 2019 Oak Ridge Leadership Computing Facility (OAR) Strategic Results section. For example, researchers used Summit to pinpoint and understand the production of proteins from genetic information, including mutations and the functional expression of disease (Section 8.2).

97 MATHEMATICS AND COMPUTING↗

Fabrication of THz corrugated wakefield structure and its high power test

We present overall process for developing terahertz (THz) corrugated structure and its beam-based measurement results. 0.2-THz corrugated structures were fabricated by die stamping method as the first step demonstration towards GW THz radiation source and GV/m THz wakefield accelerator. 150-μm thick disks were produced from an OFHC (C10100) foil by stamping. Two types of disks were stacked alternately to form 46 mm structure with ~ 170 corrugations. Custom assembly was designed to provide diffusion bonding with a high precision alignment of disks. The compliance of the fabricated structure have been verified through beam-based wakefield measurement at Argonne Wakefield Accelerator Facility. Both measured longitudinal and transverse wakefield showed good agreement with simulated wakefields. Measured peak gradients, 9.4 MV/m/nC for a long single bunch and 35.4 MV/m/nC for a four bunch trains, showed good agreement with the simulation.

43 PARTICLE ACCELERATORS↗

Magnetic Field Measurements of First Pre-series Full -Length 4.2 m Quadrupole MQXFA03 Using PCB Rotating Coils for the Hi Hi-Lumi LHC Project

The U.S. Hi-Lumi LHC Accelerator Upgrade Project (AUP) and CERN have joined efforts to develop high field quad-rupoles for the Hi-Lumi LHC upgrade. The US national laborato-ries in the AUP project will deliver 10 magnets and each cryostat has two 4.2 m high gradient quadrupoles in it. These magnets are made of Nb3Sn conductors, with large aperture (150 mm) and in-tegrated gradient of 556.9 T. This paper reports on magnetic measurements performed during the vertical test at Brookhaven National Laboratory (BNL) in 2019-2020. A warm measurement Z-Scan (+/- 15 A) with 42 Z-positions before cool-down was per-formed at BNL. The results were directly compared to field data measured at LBNL during magnet assembly. Measured harmonics and magnetic center offsets (ΔX and ΔY) have provided timely and informative diagnostics on the magnet structure’s shape at both warm and cold temperatures. A new centering fixture was de-signed and added to better center the warm bore tube which con-tains the rotating coil probe. After the quench training to 16.47 kA was achieved, a complete set of cold measurements (Z-Scan at 16.47 kA and I-Scan from 960 A to 16.47 kA and back to 960 A) was made. Periodic axial variation of allowed and nonallowed harmonics was observed which is related to the coil radial and/or mid-plane variations along the magnet axis. Overall, the average harmonics in the straight section are within the required field boundaries.

43 PARTICLE ACCELERATORS↗

Modeling and design of compact, permanent-magnet transport systems for highly divergent, broad energy spread laser-driven proton beams

Laser-driven (LD) ion acceleration has been explored in a newly constructed short focal length laser beamline at the BELLA petawatt facility (interaction point 2, iP2). For applications utilizing such LD ion beams, a beam transport system is required, which for reasons of compactness be ideally contained within 3 m. While they are generated from a micron-scale source, large divergence and energy spread of LD ion beams present a unique challenge to transporting them compared to beams from conventional accelerators. This study gives an overview of proposed compact transport designs using permanent magnets satisfying different requirements depending on the application for the iP2 laser beamline such as radiation biology, material science, and high-energy density science. These designs are optimized for different parameters such as energy spread and peak proton density according to the application’s need. The various designs consist solely of permanent magnet elements, which can provide high magnetic field gradients on a small footprint. While the field strengths are fixed, we have shown that the beam size is able to be tuned effectively by varying the placement of the magnets. The performance of each design was evaluated based on high-order particle tracking simulations of typical LD proton beams. We also examine the ability of certain configurations to tune and select beam energies, critical for specific applications. A more detailed investigation was carried out for a design to deliver 10 MeV LD accelerated ions for radiation biology applications. With these transport system designs, the iP2 laser beamline is ready to house various application experiments.

43 PARTICLE ACCELERATORS↗

Friction stir gradient alloying: A high-throughput method to explore the influence of V in enabling HCP to BCC transformation in a γ-FCC dominated high entropy alloy

The compositional possibilities in high entropy alloys (HEAs) is very vast and effective strategies are needed to establish potential alloy chemistries. In this study, friction stir gradient alloying (FSGA), a recently-introduced high-throughput (HT) technique incorporating compositional and microstructural gradients, was used to explore the possibility of introducing a bcc transformation domain in γ-fcc dominated TRIP HEA Fe 38.5 Mn 20 Cr 15 Co 20 Si 5 Cu 1.5 (at.%) by vanadium addition. FSGA has accelerated the process of attaining the composition-microstructure library and the results suggest that vanadium addition of ~1 at.% results in nucleation of α-bcc. Additionally, this is the first observation of ε-hcp to α-bcc transformation in a TRIP HEA and supports the Olson-Cohen model of martensitic transformation (γ-fcc → ε-hcp → α-bcc). ε-hcp is nucleated with a pyramidal orientation by the formation of planar faults on the {111} close-packed planes of γ-fcc, and α-bcc is nucleated in the vicinity of ε-hcp along the {111} γ-fcc trace. There are indications for the formation of basal orientated ε-hcp from intersecting ε-hcp planes orientated for the pyramidal slip. Thus, the study shows the nucleation and growth of the α-bcc phase attributed to the dual effects of chemistry and strain and potential co-existence of all the three phases.

36 MATERIALS SCIENCE↗

Radiation damage study of POCO ZXF-5Q graphite for neutrino production targets using 4.5 MeV helium ions

To address the challenges of increased beam power and target survivability associated with next-generation particle production beam lines, high dose, high-energy proton beam conditions are simulated using irradiation from low-energy ion beams. A low-energy ion irradiation study of POCO ZXF-5Q graphite under conditions similar to those of the NuMI NT-02 neutrino production target at the Fermi National Accelerator Laboratory is reported. Helium ion irradiation was performed at 100 ∘ C to a maximum damage level of 0.9 displacements per atom (DPA). Irradiation induced hardening, swelling of the irradiated region, inter-plane lattice expansion, and intraplane lattice contraction with increasing ion fluence was observed using micromechanical (nanoindentation, atomic force microscopy) and electron microscopy (high-resolution imaging, selected area diffraction) characterization. Similar changes were also observed in post irradiation examination of the NT-02 target indicating that ion irradiation can be a valuable tool for estimating radiation damage in proton beam targets. Caution must be exercised though, because the hardening, lattice alteration, and swelling occur to different magnitudes for a given damage level. The observed hardening and embrittlement were greater for ion irradiated graphite. For He ion irradiated samples the lattice spacing changes were smaller at low damage levels (78% less expansion and 71% less contraction at 0.1 DPA) and larger at high damage levels (38% more expansion and 5% more contraction at 0.9 DPA) relative to that observed in the NT-02 target. The magnitude of swelling was 8.5× greater under ion irradiation which is influenced by the differing damage gradients and inclusion of implanted He ions in the region of interest.

43 PARTICLE ACCELERATORS↗

Towards advanced polarized electron sources

Polarized electrons play an important role in high-energy and nuclear physics, and their properties have also been exploited in ultrafast electron microscopy. Currently, gallium arsenide crystals illuminated by circular polarized infrared laser light are commonly used for generating polarized electrons. However, the achievable accelerating voltage and the gradient of these electrostatic sources limit the beam quality and quantity. A solution could be to combine gallium arsenide photocathodes with radio-frequency electron guns, which are capable of accelerating beams with significantly higher gradients and voltage. Here we report the successful operation of a gallium arsenide photocathode in a superconducting radio-frequency gun. Our findings are relevant for future sources of polarized electrons.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Vortex-sheet modeling of hydrodynamic instabilities produced by an oblique shock interacting with a perturbed interface in the HED regime

In this work, we consider hydrodynamic instabilities produced by the interaction of an oblique shock with a perturbed material interface under high-energy-density (HED) conditions. During this interaction, a baroclinic torque is generated along the interface due to the misalignment between the density and pressure gradients, thus leading to perturbation growth. Our objective is to understand the competition between the impulsive acceleration due to the normal component of the shock velocity, which drives the Richtmyer–Meshkov instability, and the shear flow across the interface due to the tangential component of the shock velocity, which drives the Kelvin–Helmholtz instability, as well as its relation to perturbation growth. Since the vorticity resulting from the shock-interface interaction is confined to the interface, we describe the perturbation growth using a two-dimensional vortex-sheet model. We demonstrate the ability of the vortex-sheet model to reproduce roll-up dynamics for non-zero Atwood numbers by comparing to past laser-driven HED experiments. We determine the dependence of the interface dynamics on the tilt angle and propose a time scaling for the perturbation growth at early time. Eventually, this scaling will serve as a platform for the design of future experiments. This study is the first attempt to incorporate into a vortex-sheet model the time-dependent interface decompression and the deceleration (as well as the corresponding Rayleigh–Taylor instability) arising from laser turn-off.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Thermal Performance of a Conduction-Cooled CCT Dipole ReBCO Magnet: Several Cycles of Cool-Down and Thermal Gradient Measurements

Here, this paper presents experimental results from conduction-cooled thermal testing of a ReBCO canted cosine theta (CCT) magnet (C2), originally designed and fabricated at LBNL using CORC cables. While the performance of the coil under liquid helium and nitrogen environments has been previously established, this study explores its behavior under conduction cooling using a large test cryostat at The Ohio State University. The magnet, measuring 613 mm in length and weighing ∼75 kg, consists of four helical layers wound with ReBCO-based CORC wire and was thermally anchored to a copper cold ring supported by a G-10 strongback. Cooling was provided by two Sumitomo RDK-415D cryocoolers, offering a combined 3 W at 4.2 K and 150 W at 77 K. Multiple thermal cycles were performed, with cooldown durations of up to 45 hours. Final base temperatures of approximately 10.8 K (at the coil edge) and 12.0 K (at the coil center) were achieved, with an axial temperature difference of approximately 1.2 K. The warm-up period extended over approximately 24.6 hours. Voltage measurements from all four layers were recorded during cooldown and warmup. The system demonstrated stable cooldown performance, repeatable gradients, and good thermal anchoring. These results support the feasibility of conduction cooling in large-scale HTS magnets, aligning with broader goals for “green” cryogen-free accelerator technologies and paving the way for more sustainable, scalable, and energy-efficient high-field magnet systems in next-generation particle accelerators.

Canted cosine theta magnets↗

Extending SEER for Extreme Heterogeneity

Heterogeneous and multi-device nodes are increasingly common in high-performance computing and data centers, yet existing programming models often lack simple, transparent, and portable support for these diverse architectures. The main contribution of this work is the development of novel SEER capabilities to address this challenge by providing a descriptive programming model that allows applications to seamlessly leverage heterogeneous nodes across various device types. SEER uses efficient memory management and can select the proper device[s] depending on the computational cost of the applications. This is completely transparent to the programmer, thereby providing a highly productive programming environment. Integrating extreme heterogeneity into the SEER library as shown with the use of NVIDIA and AMD GPUs simultaneously allows it to expand and exploit the performance possibilities. Our analysis based on the well-known Conjugate Gradient algorithm reports accelerations above 1.5 × on computationally demanding steps of such an algorithm by using both architectures simultaneously.

Teranishi, Keita [ORNL] (ORCID:0000000166472690)↗

Megavolt bremsstrahlung measurements from linear induction accelerators demonstrate possible use as a FLASH radiotherapy source to reduce acute toxicity

Abstract Recent studies indicate better efficacy and healthy tissue sparing with high dose-rate FLASH radiotherapy (FLASH-RT) cancer treatment. This technique delivers a prompt high radiation dose rather than fractional doses over time. While some suggest thresholds of > 40 Gy s −1 with a maximal effect at > 100 Gy s −1 , accumulated evidence shows that instantaneous dose-rate and irradiation time are critical. Mechanisms are still debated, but toxicity is minimized while inducing apoptosis in malignant tissue. Delivery technologies to date show that a capability gap exists with clinic scale, broad area, deep penetrating, high dose rate systems. Based on these trends, if FLASH-RT is adopted, it may become a dominant approach except in the least technologically advanced countries. The linear induction accelerator (LIA) developed for high instantaneous and high average dose-rate, species independent charged particle acceleration, has yet to be considered for this application. We review the status of LIA technology, explore the physics of bremsstrahlung-converter-target interactions and our work on stabilizing the electron beam. While the gradient of the LIA is low, we present our preliminary work to improve the gradient by an order of magnitude, presenting a point design for a multibeam FLASH-RT system using a single accelerator for application to conformal FLASH-RT.

42 ENGINEERING↗

Understanding particle size effect on fast-charging behavior of graphite anode using ultra-thin-layer electrodes

Extreme fast charging (≤ 15 min) of lithium-ion batteries is highly desirable to accelerate mass-market adoption of electric vehicles. However, significant capacity fading, as well as safety issues due to the lithium plating caused by the fast charging rate, limit its implementation. In this study, we investigated the fast-charging capability of graphite materials with various particle sizes. To eliminate the Li + ion concentration gradient effect across the thickness of the electrode, ultra-thin-layer graphite electrodes were developed to investigate the "real" fast-charging capability of graphite at the particle level. Electrochemical assessments as well as microscopic characterizations revealed that smaller particles exhibited superior fast-charging performance, featuring enhanced capacity reversibility, faster charging rate, and less lithium plating under the same fast-charging conditions. It is shown that small-particle graphite (mean radius of 3.3 μm) could withstand a 4C charge (to 80 % state-of-charge) without plating, with minimal plating occurring at 6C. Thicker particles exhibited plating at lower C-rates. Since the experimental data could not directly explain whether intra-particle diffusion limitations or interfacial reaction limitations dominated the plating mechanism, the pseudo-2-dimensional model was used to evaluate the most likely plating mechanism. The model suggested that particle-level diffusion is the dominant mechanism contributing to plating at high rates. Finally, this work provides comprehensive insights into the particle size effects on fast-charging capability, offering a better understanding of fast-charging behavior and valuable guidance for designing optimal electrode architecture for high-rate lithium-ion batteries.

25 ENERGY STORAGE↗